SCHEMBL10166019

CC(C)(C)OC(=O)N[C@@H](CCCCC/C=C\[C@@H]1C[C@]1(I)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)N1C[C@H](O)C[C@H]1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	HDAC1	Q13547	2/20	0.35

▸	HDAC8	Q9BY41	2/20	0.35

▸	HDAC4	P56524	1/20	0.32

▸	ITGB3	P05106	5/20	0.31

▸	ITGA2B	P08514	5/20	0.31

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
SCHEMBL12831641	0.90	HDAC1 (0.35)	HDAC1HDAC8HDAC4ITGB3ITGA2B
SCHEMBL6124752	0.85	HDAC1 (0.36)	HDAC1HDAC8HDAC4ITGB3ITGA2B
SCHEMBL6124808	0.83	CYP3A4 (0.36)	—
SCHEMBL6124807	0.79	HDAC1 (0.36)	HDAC1HDAC8HDAC4ITGB3ITGA2B
SCHEMBL13071444	0.77	ITGB3 (0.37)	HDAC1HDAC8HDAC4ITGB3ITGA2B
SCHEMBL13071919	0.77	HDAC1 (0.33)	HDAC1HDAC8HDAC4ITGB3ITGA2B
SCHEMBL8273133	0.76	HDAC1 (0.41)	HDAC1HDAC8HDAC4ITGB3ITGA2B
SCHEMBL10166392	0.76	HDAC1 (0.35)	HDAC1HDAC8HDAC4ITGB3ITGA2B
SCHEMBL6124800	0.76	HDAC1 (0.36)	HDAC1HDAC8HDAC4ITGB3ITGA2B
SCHEMBL2632539	0.76	HDAC1 (0.39)	HDAC1HDAC8HDAC4ITGB3ITGA2B

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-2012054874-A1	NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION	INTERMUNE, INC. (US)	2012-04-26	—	—	WO	disclosed