Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9280880

CCCCCCCCN(CCCCCCCC)OCC(CC)CCCC.[Cl-].[Cl-].[Ti+2]

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 3/20 0.41
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 6/20 0.38
DNM1 Q05193 3/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
CA2 P00918 1/20 0.36
LMNA P02545 3/20 0.35
HSD17B10 Q99714 1/20 0.35
RECQL P46063 1/20 0.34
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP14 P50281 1/20 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 SCHEMBL9277278 1.00 CYP3A4 (0.43) CYP3A4L3MBTL1TSHRTDP1ATM
Hydrochloric Acid SCHEMBL9277766 1.00 CYP3A4 (0.43) CYP3A4L3MBTL1TSHRTDP1ATM
Hydrochloric Acid SCHEMBL6562650 0.73 CYP3A4 (0.41) CYP3A4L3MBTL1TSHRTDP1ATM
Hydrochloric Acid SCHEMBL6563832 0.73 CYP3A4 (0.41) CYP3A4L3MBTL1TSHRTDP1ATM
Hydrochloric Acid SCHEMBL6564573 0.73 CYP3A4 (0.41) CYP3A4L3MBTL1TSHRTDP1ATM
Hydrochloric Acid SCHEMBL6566369 0.73 CYP3A4 (0.41) CYP3A4L3MBTL1TSHRTDP1ATM
Hydrochloric Acid SCHEMBL6564593 0.73 CYP3A4 (0.41) CYP3A4L3MBTL1TSHRTDP1ATM
Hydrochloric Acid SCHEMBL6562743 0.73 CYP3A4 (0.41) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL11339049 0.73 CYP3A4 (0.45) CYP3A4L3MBTL1TSHRTDP1ATM
Hydrochloric Acid SCHEMBL9285166 0.71 DNM1 (0.42) TSHRALDH1A1DNM1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0349886-B1 Liquid catalyst component, catalyst system containing said component and process for producing ethylene-alpha-olefin copolymer using said catalyst system SUMITOMO CHEMICAL CO (JP) 1995-09-20 EP disclosed
US-5134104-A Coordination catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-07-28 US disclosed
US-5039766-A Coordination polymerization catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-08-13 US disclosed
EP-0349886-A2 Liquid catalyst component, catalyst system containing said component and process for producing ethylene-alpha-olefin copolymer using said catalyst system SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-01-10 EP disclosed