SCHEMBL4752899

Cc1c(F)cccc1[C@H]1[C@@H](C(=O)c2cccc(O)c2)CN(CCN(C)S(C)(=O)=O)C[C@H]1C(=O)N1CCCC1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	GYS1	P13807	13/20	0.34

▸	ACE	P12821	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
SCHEMBL4752900	1.00	GYS1 (0.34)	GYS1ACE
SCHEMBL4027055	0.92	ALDH1A1 (0.36)	GYS1
SCHEMBL4019629	0.92	ALDH1A1 (0.36)	GYS1
SCHEMBL4025921	0.90	ALDH1A1 (0.34)	—
SCHEMBL4026490	0.90	ALDH1A1 (0.34)	—
SCHEMBL5635049	0.90	KDM2B (0.31)	—
SCHEMBL4021872	0.90	BCHE (0.31)	—
SCHEMBL4022158	0.90	BCHE (0.31)	—
SCHEMBL4028067	0.88	BCHE (0.30)	—
SCHEMBL13721487	0.88	OPRM1 (0.35)	—

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2008140810-A1	CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS	CYTOKINETICS, INCORPORATED (US)	2008-11-20	—	—	WO	claimed