SCHEMBL6124808

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](Oc2nccc3c2CCCC3)C[C@H]1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 1)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	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
SCHEMBL10166019	0.83	HDAC1 (0.35)	—
SCHEMBL10166024	0.80	CYP3A4 (0.33)	CYP3A4
SCHEMBL10166028	0.80	CYP3A4 (0.31)	CYP3A4
SCHEMBL6124825	0.79	MCL1 (0.32)	CYP3A4
SCHEMBL10166390	0.77	MCL1 (0.33)	—
SCHEMBL6124836	0.75	—	—
SCHEMBL12831641	0.74	HDAC1 (0.35)	—
SCHEMBL6124823	0.72	F2 (0.34)	—
SCHEMBL13071919	0.72	HDAC1 (0.33)	—
SCHEMBL12832026	0.71	CTSB (0.30)	—

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