Phenylalanine Methyl Ester

Phenylalanine Methyl Ester

SCHEMBL136409

COC(=O)[C@@H](N)Cc1ccccc1.Cl

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Phenylalanine Methyl Ester. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 known ✓ P23219 1/20 0.61
OPRK1 known ✓ P41145 1/20 0.50
SLC7A5 Q01650 3/20 0.61
ALPI P09923 1/20 0.61
PKM P14618 1/20 0.61
XIAP P98170 1/20 0.61
SLC15A1 P46059 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ANPEP P15144 3/20 0.52
LTA4H P09960 2/20 0.52
ATM Q13315 1/20 0.51
ALDH1A1 P00352 1/20 0.51
SRR Q9GZT4 1/20 0.50
RNPEP Q9H4A4 1/20 0.50
DNPEP Q9ULA0 1/20 0.50
LAP3 P28838 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Phenylalanine Methyl Ester SCHEMBL346467 1.00 SLC7A5 (0.61) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine Methyl Ester SCHEMBL27544206 1.00 SLC7A5 (0.61) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine Methyl Ester SCHEMBL7738570 1.00 SLC7A5 (0.61) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine Methyl Ester SCHEMBL27544207 1.00 SLC7A5 (0.61) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine Methyl Ester SCHEMBL136408 1.00 SLC7A5 (0.61) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine Methyl Ester SCHEMBL10951059 0.98 SLC7A5 (0.59) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine Methyl Ester SCHEMBL10951055 0.98 SLC7A5 (0.59) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine Methyl Ester SCHEMBL74887 0.98 SLC7A5 (0.63) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine Methyl Ester SCHEMBL186022 0.98 SLC7A5 (0.63) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine Methyl Ester SCHEMBL74888 0.98 SLC7A5 (0.63) SLC7A5ALPIPKMPTGS1XIAP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 2300 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119776848-A Green corrosion inhibitor and preparation method and application thereof 三峡金沙江云川水电开发有限公司 2025-04-08 CN claimed
CN-222566806-U Rotary steaming device for preparing L-phenylalanine methyl ester hydrochloride 南京安伦化工科技有限公司 2025-03-07 CN claimed
CN-119504883-A Synthesis method of RNA monomer intermediate 2' -fluoro-nucleoside modifier 安徽信佰生物医药科技有限公司 2025-02-25 CN claimed
CN-119409588-A Caffeoyl amino acid methyl ester derivative and preparation method and application thereof 西北大学 2025-02-11 CN claimed
CN-119264465-A Method for stabilizing high internal phase oil-in-water emulsion by crosslinking phenylalanine-aspartic acid copolymer and polylysine ions 江南大学 2025-01-07 CN claimed
CN-119241617-A 2 '-Deoxy-2' -fluoro-N4-substituted cytidine compound, preparation method and application thereof 河南省科学院高新技术研究中心 2025-01-03 CN claimed
CN-116606297-B Synthesis method and application of tail phenylalanine porphyrin derivatives 井冈山大学 2024-11-26 CN claimed
CN-118892748-A Homochiral COFs nano composite film, preparation method and application thereof 中国科学院苏州纳米技术与纳米仿生研究所 2024-11-05 CN claimed
WO-2024207751-A1 SYNTHESIS METHOD FOR TAIL-TYPE PHENYLALANINE PORPHYRIN DERIVATIVE AND USE OF TAIL-TYPE PHENYLALANINE PORPHYRIN DERIVATIVE 井冈山大学 2024-10-10 WO claimed
CN-113024434-B Buvaracetam Process for the preparation of intermediates 上海科胜药物研发有限公司 2024-09-06 CN claimed
CN-1634977-A Process for preparing aspartame CHANGZHOU NIUTANG CHEMICAL PLA (CN) 2005-07-06 CN claimed
CN-1137909-C Intercalated loaded metallocene catalyst and its catalysis in olefine polymerization 中国科学院长春应用化学研究所 2004-02-11 CN claimed
EP-1140795-B1 N-3, 3-DIMETHYLBUTYL-L-ASPARTIC ACID AND ESTERS THEREOF, THE PROCESS OF PREPARING THE SAME, AND THE PROCESS FOR PREPARING N-[N-(3,3-DIMETHYLBUTYL)-L-ALPHA-ASPARTYL)-L-PHENYLALANINE-1-METHYLESTER THEREFROM NUTRASWEET CO (US) 2003-09-03 EP claimed
CN-1344749-A Intercalated loaded metallocene catalyst and its catalysis in olefine polymerization CHANGCHUN APPLIED CHEMISTRY (CN) 2002-04-17 CN claimed
EP-1140795-A1 N-3, 3-DIMETHYLBUTYL-L-ASPARTIC ACID AND ESTERS THEREOF, THE PROCESS OF PREPARING THE SAME, AND THE PROCESS FOR PREPARING N-[N-(3,3-DIMETHYLBUTYL)-L-ALPHA-ASPARTYL)-L-PHENYLALANINE-1-METHYLESTER THEREFROM The NutraSweet Company (US) 2001-10-10 EP claimed
WO-2000039075-A1 N-3, 3-DIMETHYLBUTYL-L-ASPARTIC ACID AND ESTERS THEREOF, THE PROCESS OF PREPARING THE SAME, AND THE PROCESS FOR PREPARING N-[N-(3, 3-DIMENTHYLBUTYL)-L-α-ASPARTYL]-L-PHENYLALANINE 1-METHYL ESTER THEREFROM THE NUTRASWEET COMPANY (US) 2000-07-06 WO claimed
US-6077962-A N-3, 3-dimethylbutyl-L-aspartic acid and esters thereof, the process of preparing the same, and the process for preparing N-(N-(3,3-dimethylbutyl) -α L-aspartyl)-L- phenylalanine 1-methyl ester therefrom THE NUTRASWEET COMPANY (US) 2000-06-20 US claimed
US-5302743-A Reacting N-protected L-aspartic anhydride with L-phenylalanine methyl ester salt in non-aqueous solvent MITSUI TOATSU CHEMICALS, INC. (JP) 1994-04-12 US claimed
EP-0300450-A2 Method for producing alpha-L-aspartyl-L-phenylalanine methyl ester hydrochloride AJINOMOTO CO., INC. (JP) 1989-01-25 EP claimed
EP-0200311-A2 Preparation process of alpha-L-aspartyl-L-phenylalanine methyl ester or hydrochloride thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-11-05 EP claimed