Hydrochloric Acid

SCHEMBL9067189

CC(C)(C)c1cc(C2=C([Zr+2]C3=C(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)C=CC3)CC=C2)cc(C(C)(C)C)c1.COc1c(C(C)(C)C)cc(C2=C([Zr+2]C3=C(c4cc(C(C)(C)C)c(OC)c(C(C)(C)C)c4)C=CC3)CC=C2)cc1C(C)(C)C.[Cl-].[Cl-].[Cl-].[Cl-]

nearest known ligand 0.35

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 2)

	gene	UniProt	supporting neighbours	confidence
▸	PTGS2	P35354	3/20	0.35

▸	PTGS1	P23219	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.

Compound	similarity	top predicted	shared targets
Hydrochloric Acid SCHEMBL7565369	0.93	PTGS2 (0.39)	PTGS2PTGS1
Hydrochloric Acid SCHEMBL7572792	0.86	KDM4E (0.33)	—
Hydrochloric Acid SCHEMBL9066219	0.84	PTGS2 (0.35)	PTGS2PTGS1
Hydrochloric Acid SCHEMBL9066459	0.83	RARG (0.31)	—
Hydrochloric Acid SCHEMBL9066684	0.75	—	—
Hydrochloric Acid SCHEMBL7565380	0.71	PTGS2 (0.39)	PTGS2PTGS1
Hydrochloric Acid SCHEMBL7572280	0.71	KIF11 (0.40)	—
SCHEMBL2947022	0.68	PTGS2 (0.47)	PTGS2PTGS1
SCHEMBL9066210	0.67	RARG (0.32)	—
SCHEMBL9066270	0.66	PTGS2 (0.35)	PTGS2PTGS1

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
EP-0540108-B1	Catalyst composition	SHELL INT RESEARCH (NL)	1996-01-03	—	—	EP	claimed
EP-0540108-A1	Catalyst composition	SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL)	1993-05-05	—	—	EP	claimed