Hydrochloric Acid

Hydrochloric Acid

SCHEMBL540242

COC(=O)[C@@](C)(N)Cc1ccc(O)cc1.Cl

nearest known ligand 0.65

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

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 known ✓ P03372 6/20 0.48
ESR2 known ✓ Q92731 5/20 0.44
EGFR known ✓ P00533 1/20 0.44
GAA known ✓ P10253 1/20 0.44
ADRA1A known ✓ P35348 1/20 0.44
PTGS2 known ✓ P35354 1/20 0.44
CA2 known ✓ P00918 3/20 0.39
BLM P54132 2/20 0.65
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
FYN P06241 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 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
Hydrochloric Acid SCHEMBL540244 1.00 BLM (0.65) BLMESR1ESR2MEN1KMT2A
Hydrochloric Acid SCHEMBL1322060 1.00 BLM (0.65) BLMESR1ESR2MEN1KMT2A
SCHEMBL503525 0.98 BLM (0.67) BLMESR1ESR2MEN1KMT2A
SCHEMBL503526 0.98 BLM (0.67) BLMESR1ESR2MEN1KMT2A
SCHEMBL540243 0.98 BLM (0.67) BLMESR1ESR2MEN1KMT2A
Hydrochloric Acid SCHEMBL1311456 0.85 SMN1; SMN2 (0.50) BLMMEN1KMT2AKDM4EUSP2
Hydrochloric Acid SCHEMBL2210717 0.85 SMN1; SMN2 (0.50) BLMMEN1KMT2AKDM4EUSP2
Hydrochloric Acid SCHEMBL2210722 0.85 SMN1; SMN2 (0.50) BLMMEN1KMT2AKDM4EUSP2
SCHEMBL180210 0.83 BLM (0.47) BLMMEN1KMT2AKDM4EUSP2
SCHEMBL3647847 0.83 BLM (0.65) BLMESR1ESR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4255920-A2 COMPOSITIONS AND METHODS FOR MODULATING CANCER IN NON-HUMAN MAMMALS Hoffman Technologies LLC (US) 2023-10-11 EP claimed
WO-2022120039-A2 COMPOSITIONS AND METHODS FOR MODULATING CANCER IN NON-HUMAN MAMMALS HOFFMAN STEVEN (US) 2022-06-09 WO claimed
EP-3968785-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER Tyme, Inc. (US) 2022-03-23 EP claimed
WO-2020159400-A1 PHARMACEUTICAL COMPOSITION BASED ON ALPHA-METHYL-P-TYROSINE AND METHOD OF EARLY DIAGNOSIS OF PARKINSON'S DISEASE Общество с ограниченной ответственностью "Центр ранней диагностики нейродегенеративных заболеваний (НДЗ)" 2020-08-06 WO claimed
EP-4255920-A2 COMPOSITIONS AND METHODS FOR MODULATING CANCER IN NON-HUMAN MAMMALS Hoffman Technologies LLC (US) 2023-10-11 EP disclosed
EP-4090329-A2 TYROSINE DERIVATIVES FOR MODULATING CANCER Tyme, Inc. (US) 2022-11-23 EP disclosed
EP-4072560-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS Tyme, Inc. (US) 2022-10-19 EP disclosed
WO-2022120039-A2 COMPOSITIONS AND METHODS FOR MODULATING CANCER IN NON-HUMAN MAMMALS HOFFMAN STEVEN (US) 2022-06-09 WO disclosed
CN-114599352-A alpha-methyl-DL-tyrosine alkyl esters for the treatment of cancer 迪美公司 2022-06-07 CN disclosed
EP-3968785-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER Tyme, Inc. (US) 2022-03-23 EP disclosed
WO-2022048922-A1 SUBSTITUTED VICINAL DIAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF PAIN Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2022-03-10 WO disclosed
EP-3964497-A1 SUBSTITUTED VICINAL DIAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF PAIN Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2022-03-09 EP disclosed
EP-0984981-B1 ANTI-INFLAMMATORY TYROSINE DERIVATIVES CELLTECH THERAPEUTICS LTD (GB) 2003-12-17 EP disclosed
US-6093696-A N-ACETYL-D-THIOPROLINE-(O-2,6-DICHLOROBENZYL)-L-TYROSINE, FOR EXAMPLE; SELECTIVELY INHIBIT THE ALPHA 4 SUBGROUP OF INTEGRINS FROM BINDING TO THEIR LIGANDS; USE IN PROPHYLAXIS OR TREATMENT OF IMMUNE OR INFLAMMATORY DISEASES CELLTECH THERAPEUTICS, LIMITED (GB) 2000-07-25 US disclosed
EP-0984981-A1 ANTI-INFLAMMATORY TYROSINE DERIVATIVES CELLTECH THERAPEUTICS LIMITED (GB) 2000-03-15 EP disclosed
US-5968581-A Dipeptide derivatives and sweetening agents AJINOMOTO CO., INC. (JP) 1999-10-19 US disclosed
WO-1998054207-A1 ANTI-INFLAMMATORY TYROSINE DERIVATIVES CELLTECH THERAPEUTICS LIMITED (GB) 1998-12-03 WO disclosed
CN-1199049-A Novel dipeptide derivatives and sweetening agents AJINOMOTO KK (JP) 1998-11-18 CN disclosed
EP-0866073-A1 Novel dipeptide derivatives and sweetening agents Ajinomoto Co., Ltd. (JP) 1998-09-23 EP disclosed
US-5331006-A Cholecystokinin, antisecretory agents WARNER-LAMBERT COMPANY (US) 1994-07-19 US disclosed