SCHEMBL20925756

C[C@@H]1C(O)C(C#N)=C[C@]2(C)C3=CC(=O)C4[C@H]5CC(C)(C)CC[C@]5(NC(=O)CC(F)(F)F)CC[C@@]4(C)[C@]3(C)CC[C@@H]12

nearest known ligand 0.51

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	MBOAT4	Q96T53	4/20	0.51

▸	USP7	Q93009	2/20	0.46

▸	NFE2L2	Q16236	2/20	0.46

▸	USP2	O75604	1/20	0.46

▸	STAT3	P40763	1/20	0.46

▸	NOS2	P35228	7/20	0.46

▸	KEAP1	Q14145	2/20	0.46

▸	CYP3A4	P08684	1/20	0.46

▸	CYP2C9	P11712	1/20	0.46

▸	CYP2C19	P33261	1/20	0.46

▸	RORC	P51449	1/20	0.46

▸	CCR6	P51684	1/20	0.41

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
SCHEMBL20925859	0.90	MBOAT4 (0.48)	MBOAT4USP7NFE2L2USP2STAT3
SCHEMBL20926059	0.88	MBOAT4 (0.48)	MBOAT4USP7NFE2L2USP2STAT3
SCHEMBL21577759	0.88	MBOAT4 (0.49)	MBOAT4USP7NFE2L2USP2STAT3
SCHEMBL24036079	0.86	MBOAT4 (0.56)	MBOAT4USP7NFE2L2USP2STAT3
SCHEMBL12686553	0.86	MBOAT4 (0.56)	MBOAT4USP7NFE2L2USP2STAT3
SCHEMBL12968613	0.85	MBOAT4 (0.70)	MBOAT4USP7NFE2L2USP2STAT3
SCHEMBL21577807	0.82	NOS2 (0.52)	MBOAT4USP7NFE2L2USP2STAT3
SCHEMBL23450311	0.82	MBOAT4 (0.56)	MBOAT4USP7NFE2L2USP2STAT3
SCHEMBL10212066	0.81	MBOAT4 (0.73)	MBOAT4USP7NFE2L2USP2STAT3
SCHEMBL1036288	0.81	MBOAT4 (0.73)	MBOAT4USP7NFE2L2USP2STAT3

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
EP-2683731-B1	C4-MONOMETHYL TRITERPENOID DERIVATIVES AND METHODS OF USE THEREOF	REATA PHARMACEUTICALS INC (US)	2019-04-24	—	—	EP	disclosed