Mandelic Acid

Mandelic Acid

SCHEMBL4599016

Cl.O=C(O)C(O)c1ccccc1

nearest known ligand 0.95

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 Mandelic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC known ✓ P12931 2/20 0.56
ESR2 known ✓ Q92731 1/20 0.46
GAA known ✓ P10253 1/20 0.44
LMNA P02545 4/20 0.95
MAPK1 P28482 1/20 0.95
CES2 O00748 2/20 0.60
CES1 P23141 2/20 0.60
CYP2D6 P10635 1/20 0.56
HPGD P15428 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN7 P35236 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.44

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
Mandelic Acid SCHEMBL9617552 1.00 LMNA (0.95) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL1374278 1.00 LMNA (0.95) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL1050 0.97 LMNA (1.00) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL29777368 0.97 LMNA (1.00) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL21647917 0.97 LMNA (1.00) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL5313046 0.97 LMNA (1.00) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL165161 0.97 LMNA (1.00) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL255601 0.97 LMNA (1.00) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL28129991 0.95 LMNA (0.86) LMNAMAPK1CES2CES1SRC
Mandelic Acid SCHEMBL9185770 0.95 LMNA (0.95) LMNAMAPK1CES2CES1SRC

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

Claimed or disclosed in 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112694488-B Synthesis method of L-type cefamandole nafate 苏州盛达药业有限公司 2022-04-22 CN claimed
CN-113354534-A Preparation method of D- (-) -formyl mandelic acid chloride 江西科苑生物股份有限公司 2021-09-07 CN claimed
CN-112694488-A Synthesis method of L-type cefamandole nafate 苏州盛达药业有限公司 2021-04-23 CN claimed
CN-110204557-A A kind of preparation method of Mandokef sodio-derivative 苏州盛达药业有限公司 2019-09-06 CN claimed
CN-106565750-B A kind of synthetic method of dextrorotation Mandokef acid 哈药集团制药总厂 2018-09-11 CN claimed
CN-106565750-A Synthesis method for dextrorotation cefamandole nafate 哈药集团制药总厂 2017-04-19 CN claimed
CN-106380526-A O-alpha-methyl mandelate-N-trimethyl chitosan quaternary ammonium salt as well as preparation method and application thereof 湖南工业大学 2017-02-08 CN claimed
CN-105399754-A Preparation method for sodium cefamandole CHINA UNION CHEMPHARMA (SUZHOU) CO LTD 2016-03-16 CN claimed
CN-103319335-B Preparation method of D-(-)-O-methyl mandelic acid chloride ZHANG ZHENXIA 2014-12-03 CN claimed
CN-103319335-A Preparation method of D-(-)-O-methyl mandelic acid chloride ZHANG ZHENXIA 2013-09-25 CN claimed
CN-102816172-A Preparation process of cefamandole nafate CHINA UNION CHEMPHARMA SUZHOU CO LTD 2012-12-12 CN claimed
CN-101880290-A Preparation method of cefamandole nafate HAINAN NEW ZHONGZHENG PHARMACEUTICAL CO LTD 2010-11-10 CN claimed
CN-101085781-B Method for preparing cefonicid or its medicinal salt and intermediate SHENZHEN SALUBRIS PHARM CO LTD 2010-05-26 CN claimed
CN-101085781-A Method for preparing cefonicid or its medicinal salt and intermediate SHENZHEN SALUBRIS PHARMACEUTIC (CN) 2007-12-12 CN claimed
CN-117430557-A Preparation and application of eutectic crystal form of dibazoles and mandelic acid and pharmaceutical composition 上海应用技术大学 2024-01-23 CN disclosed
CN-112552343-B Axial chiral naphthalene-indole phosphine catalyst and preparation method and application thereof 江苏师范大学 2023-03-14 CN disclosed
CN-112694488-B Synthesis method of L-type cefamandole nafate 苏州盛达药业有限公司 2022-04-22 CN disclosed
EP-0253785-B1 EFFICIENT STEREOCONSERVATIVE SYNTHESES OF 1-SUBSTITUTED (S)- AND (R)-2-AMINOMETHYLPYRROLIDINES AND INTERMEDIATES THEREIN ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1992-11-11 EP disclosed
EP-0253785-A1 Efficient stereoconservative syntheses of 1-substituted (S)- and (R)-2-aminomethylpyrrolidines and intermediates therein ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1988-01-20 EP disclosed
EP-0064964-B1 THERAPEUTICALLY USEFUL 1-ALKYL-2-AMINOTETRALIN DERIVATIVES Astra Läkemedel Aktiebolag (SE) 1984-08-08 EP disclosed