Hydrochloric Acid

SCHEMBL8865595

O=C([O-])COc1cccc(-c2c3nc(c(-c4cccc(OCC(=O)[O-])c4)c4ccc([nH]4)c(-c4cccc(OCC(=O)[O-])c4)c4nc(c(-c5cccc(OCC(=O)[O-])c5)c5ccc2[nH]5)C=C4)C=C3)c1.O=C([O-])COc1cccc(-c2c3nc(c(-c4cccc(OCC(=O)[O-])c4)c4ccc([nH]4)c(-c4cccc(OCC(=O)[O-])c4)c4nc(c(-c5cccc(OCC(=O)[O-])c5)c5ccc2[nH]5)C=C4)C=C3)c1.O=C([O-])COc1cccc(-c2c3nc(c(-c4cccc(OCC(=O)[O-])c4)c4ccc([nH]4)c(-c4cccc(OCC(=O)[O-])c4)c4nc(c(-c5cccc(OCC(=O)[O-])c5)c5ccc2[nH]5)C=C4)C=C3)c1.[Cl-].[Mn+3].[Mn+3].[Mn+3].[Mn+3]

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHE BDKRB2 CHRM1 CHRM2 CHRM3 CHRNA1 CHRNB1 CHRND CHRNE CHRNG GUCY1A1 GUCY1A2 GUCY1B1 GUCY1B2 NAMPT PTAFR SLC10A2 SLC6A2 SLC6A3 TACR1 dacA dacB dacC ftsI mrcA mrcB mrdA

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 9)

	gene	UniProt	supporting neighbours	confidence
▸	TOP1	P11387	3/20	0.43

▸	CYCS	P99999	4/20	0.42

▸	ENPP2	Q13822	1/20	0.41

▸	FABP4	P15090	1/20	0.40

▸	TERT	O14746	4/20	0.40

▸	ABCG2	Q9UNQ0	1/20	0.40

▸	SERPINE1	P05121	1/20	0.39

▸	DHODH	Q02127	1/20	0.38

▸	PTGIR	P43119	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.

Compound	similarity	top predicted	shared targets
SCHEMBL8909582	0.99	TOP1 (0.44)	TOP1CYCSENPP2FABP4TERT
Hydrochloric Acid SCHEMBL8865553	0.98	TOP1 (0.43)	TOP1CYCSENPP2FABP4TERT
SCHEMBL8908515	0.96	TOP1 (0.44)	TOP1CYCSENPP2FABP4TERT
SCHEMBL7614765	0.87	FABP4 (0.53)	TOP1CYCSFABP4
SCHEMBL8909527	0.86	TOP1 (0.45)	TOP1CYCSENPP2FABP4TERT
SCHEMBL8909617	0.86	FABP4 (0.52)	TOP1CYCSFABP4
SCHEMBL8908536	0.86	FABP4 (0.52)	TOP1CYCSFABP4
Hydrochloric Acid SCHEMBL8865004	0.85	TOP1 (0.53)	TOP1CYCSENPP2TERTABCG2
Hydrochloric Acid SCHEMBL8865221	0.84	TOP1 (0.40)	TOP1CYCSENPP2FABP4TERT
SCHEMBL8909265	0.83	TOP1 (0.41)	TOP1CYCSENPP2FABP4TERT

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-5674467-A	USED IN NMR DIAGNOSIS, RADIODIAGNOSIS OR RADIOTHERAPY	INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH (DE)	1997-10-07	—	—	US	claimed
US-5674467-A	USED IN NMR DIAGNOSIS, RADIODIAGNOSIS OR RADIOTHERAPY	INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH (DE)	1997-10-07	—	—	US	disclosed