SCHEMBL24337270

C#C[C@]1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC(=O)[C@@H]4C5CC(C)(C)CC[C@]5(C(=O)n5cnc(-c6cccc(C(N)=O)n6)c5)CCC4[C@]3(C)CCC12

nearest known ligand 0.54

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NOS2	P35228	7/20	0.54

▸	MBOAT4	Q96T53	4/20	0.43

▸	CCR6	P51684	1/20	0.43

▸	KEAP1	Q14145	2/20	0.38

▸	CYP3A4	P08684	1/20	0.38

▸	CYP2C9	P11712	1/20	0.38

▸	CYP2C19	P33261	1/20	0.38

▸	NFE2L2	Q16236	2/20	0.37

▸	USP2	O75604	1/20	0.37

▸	STAT3	P40763	1/20	0.37

▸	USP7	Q93009	1/20	0.37

▸	RORC	P51449	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
SCHEMBL24389445	0.83	NOS2 (0.77)	NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL26755576	0.81	NOS2 (0.62)	NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL24336896	0.81	NOS2 (0.82)	NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL24389441	0.79	NOS2 (0.78)	NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL24337278	0.79	NOS2 (0.51)	NOS2MBOAT4CCR6RORC
SCHEMBL24337154	0.78	NOS2 (0.49)	NOS2MBOAT4CCR6RORC
SCHEMBL24337086	0.76	NOS2 (0.49)	NOS2MBOAT4CCR6RORC
SCHEMBL24389446	0.74	NOS2 (0.74)	NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL20257449	0.74	NOS2 (0.74)	NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL26755299	0.73	NOS2 (0.83)	NOS2MBOAT4CCR6KEAP1CYP3A4

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-2022056439-A1	ANALOGS OF CDDO-2P-IM AND CDDO-3P-IM	TRITERPENOID THERAPEUTICS, INC. (US)	2022-03-17	—	—	WO	disclosed