Hydrochloric Acid

SCHEMBL8865123

O=C([O-])CCc1cccc(-c2c3nc(c(-c4cccc(CCC(=O)[O-])c4)c4ccc([nH]4)c(-c4cccc(CCC(=O)[O-])c4)c4nc(c(-c5cccc(CCC(=O)[O-])c5)c5ccc2[nH]5)C=C4)C=C3)c1.O=C([O-])CCc1cccc(-c2c3nc(c(-c4cccc(CCC(=O)[O-])c4)c4ccc([nH]4)c(-c4cccc(CCC(=O)[O-])c4)c4nc(c(-c5cccc(CCC(=O)[O-])c5)c5ccc2[nH]5)C=C4)C=C3)c1.O=C([O-])CCc1cccc(-c2c3nc(c(-c4cccc(CCC(=O)[O-])c4)c4ccc([nH]4)c(-c4cccc(CCC(=O)[O-])c4)c4nc(c(-c5cccc(CCC(=O)[O-])c5)c5ccc2[nH]5)C=C4)C=C3)c1.[Cl-].[Mn+3].[Mn+3].[Mn+3].[Mn+3]

nearest known ligand 0.52

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 7)

	gene	UniProt	supporting neighbours	confidence
▸	TOP1	P11387	4/20	0.44

▸	CYCS	P99999	3/20	0.43

▸	ENPP2	Q13822	1/20	0.42

▸	TERT	O14746	3/20	0.41

▸	FFAR1	O14842	5/20	0.38

▸	PPARG	P37231	1/20	0.38

▸	ABCG2	Q9UNQ0	1/20	0.38

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
SCHEMBL8907994	0.99	TOP1 (0.45)	TOP1CYCSENPP2TERTFFAR1
Hydrochloric Acid SCHEMBL8865260	0.89	TOP1 (0.47)	TOP1CYCSENPP2TERTPPARG
SCHEMBL8908306	0.88	TOP1 (0.48)	TOP1CYCSENPP2TERTPPARG
SCHEMBL8908003	0.85	FFAR1 (0.51)	TOP1CYCSFFAR1PPARG
SCHEMBL8865842	0.81	PDE3B (0.48)	TOP1CYCSFFAR1ABCG2
Hydrochloric Acid SCHEMBL8865595	0.80	TOP1 (0.43)	TOP1CYCSENPP2TERTABCG2
SCHEMBL8909582	0.79	TOP1 (0.44)	TOP1CYCSENPP2TERTABCG2
SCHEMBL8865339	0.78	SYK (0.40)	TOP1CYCSFFAR1ABCG2
Hydrochloric Acid SCHEMBL8865553	0.78	TOP1 (0.43)	TOP1CYCSENPP2TERTABCG2
SCHEMBL8909228	0.78	GRIN2D (0.53)	TOP1CYCSENPP2TERTPPARG

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