SCHEMBL2831095

CCC(CCCOc1c(C(C)(C)C)cc(CCc2cc(C(C)(C)C)c(OCCCC(CC)C3CO3)c(C(C)(C)C)c2)cc1C(C)(C)C)C1CO1

nearest known ligand 0.36

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	1/20	0.36

▸	CYP2D6	P10635	1/20	0.36

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
SCHEMBL2834161	0.93	CYP3A4 (0.36)	CYP3A4CYP2D6
SCHEMBL2831328	0.91	CYP3A4 (0.35)	CYP3A4CYP2D6
SCHEMBL2829781	0.91	CYP3A4 (0.35)	CYP3A4CYP2D6
SCHEMBL2832725	0.90	—	—
SCHEMBL2833301	0.90	CYP3A4 (0.37)	CYP3A4CYP2D6
SCHEMBL2829766	0.89	—	—
SCHEMBL2831456	0.88	CYP3A4 (0.36)	CYP3A4CYP2D6
SCHEMBL2829768	0.86	—	—
SCHEMBL2830421	0.85	CYP3A4 (0.40)	CYP3A4CYP2D6
SCHEMBL2829969	0.84	CYP3A4 (0.35)	CYP3A4CYP2D6

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-20100160555-A1	RESIN COMPOSITION	SUMITOMO CHEMICAL COMPANY, LIMITED (JP)	2010-06-24	—	—	US	disclosed
EP-2133380-A1	RESIN COMPOSITION	Sumitomo Chemical Company, Limited (JP)	2009-12-16	—	—	EP	disclosed