Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9585385

CC1CC(OC(=O)[C@@H](N)CCC(=O)O)CC(C)(C)C1.Cl

nearest known ligand 0.54

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
▸ GRIN1 known ✓ Q05586 2/20 0.44
▸ GRIN2B known ✓ Q13224 2/20 0.44
▸ GRIN2D known ✓ O15399 1/20 0.36
▸ GRIN3B known ✓ O60391 1/20 0.36
▸ GRIN2A known ✓ Q12879 1/20 0.36
▸ GRIN2C known ✓ Q14957 1/20 0.36
▸ GRIN3A known ✓ Q8TCU5 1/20 0.36
▸ GABRP known ✓ O00591 2/20 0.33
▸ GABRD known ✓ O14764 2/20 0.33
▸ GABRA1 known ✓ P14867 2/20 0.33
▸ GABRB1 known ✓ P18505 2/20 0.33
▸ GABRG2 known ✓ P18507 2/20 0.33
▸ GABRB3 known ✓ P28472 2/20 0.33
▸ GABRA5 known ✓ P31644 2/20 0.33
▸ GABRA3 known ✓ P34903 2/20 0.33
▸ GABRA2 known ✓ P47869 2/20 0.33
▸ GABRB2 known ✓ P47870 2/20 0.33
▸ GABRA4 known ✓ P48169 2/20 0.33
▸ GABRE known ✓ P78334 2/20 0.33
▸ GABRA6 known ✓ Q16445 2/20 0.33

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 SCHEMBL9585390 0.90 LMNA (0.51) LMNANR1I2ABCB11GRIN1GRIN2B
Hydrochloric Acid SCHEMBL9594044 0.86 LMNA (0.58) LMNANR1I2ABCB11GRIN1GRIN2B
SCHEMBL9594198 0.85 LMNA (0.59) LMNANR1I2ABCB11GRIN1GRIN2B
Hydrochloric Acid SCHEMBL9594034 0.84 LMNA (0.56) LMNANR1I2ABCB11CYP1A2CYP3A4
SCHEMBL9594194 0.83 LMNA (0.57) LMNANR1I2ABCB11CYP1A2CYP3A4
SCHEMBL25394771 0.76 LMNA (0.49) LMNANR1I2ABCB11CYP1A2CYP3A4
SCHEMBL273324 0.74 LMNA (0.59) LMNANR1I2ABCB11CYP1A2CYP3A4
SCHEMBL272391 0.74 LMNA (0.59) LMNANR1I2ABCB11CYP1A2CYP3A4
SCHEMBL273323 0.74 LMNA (0.59) LMNANR1I2ABCB11CYP1A2CYP3A4
Ciclactate SCHEMBL2111243 0.73 LMNA (0.62) LMNANR1I2ABCB11CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5236946-A Hypercholesterolemia; regulates cholesterol production by inhibiting HMG-COA reductase PANMEDICA S.A. (FR) 1993-08-17 — — US disclosed
US-5134157-A Trimethylcyclohexyl Pyroglutamate, Antilipemic Agents PANMEDICA S.A. (FR) 1992-07-28 — — US disclosed
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