Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11628355

CCOC(=O)C1CCCC(C(=O)OCC)N1.Cl

nearest known ligand 0.48

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 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
ALDH1A1 P00352 4/20 0.40
PPM1B O75688 1/20 0.40
PTPN1 P18031 1/20 0.40
PPP1CC P36873 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 3/20 0.39
TLR4 O00206 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL7694775 0.98 TSHR (0.45) TSHRALDH1A1PPM1BPTPN1PPP1CC
Hydrochloric Acid SCHEMBL4415434 0.92 PPM1B (0.42) TSHRALDH1A1PPM1BPTPN1PPP1CC
Hydrochloric Acid SCHEMBL4415435 0.92 PPM1B (0.42) TSHRALDH1A1PPM1BPTPN1PPP1CC
Hydrochloric Acid SCHEMBL4415429 0.92 PPM1B (0.42) TSHRALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL4415431 0.90 PPM1B (0.43) ALDH1A1PPM1BPTPN1PPP1CCKDM4E
SCHEMBL9083280 0.90 PPM1B (0.43) ALDH1A1PPM1BPTPN1PPP1CCKDM4E
SCHEMBL4521342 0.90 PPM1B (0.43) ALDH1A1PPM1BPTPN1PPP1CCKDM4E
SCHEMBL9083292 0.90 PPM1B (0.43) ALDH1A1PPM1BPTPN1PPP1CCKDM4E
SCHEMBL14393314 0.90 PPM1B (0.43) ALDH1A1PPM1BPTPN1PPP1CCKDM4E
SCHEMBL14400889 0.90 PPM1B (0.43) ALDH1A1PPM1BPTPN1PPP1CCKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4117127-A INHIBITION AND SUPPRESSION OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1978-09-26 US disclosed
US-4101653-A ANTITHROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1978-07-18 US disclosed
US-4097472-A INHIBITION AND SUPRESSION OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-06-27 US disclosed
US-4093712-A ANTITHROMBOGENIC AGENTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-06-06 US disclosed
US-4073913-A INHIBITION AND SUPPRESSION OF THROMBIN MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-02-14 US disclosed
US-4066773-A ANTITHROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1978-01-03 US disclosed