SCHEMBL10273148

C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1CC(C)(Oc2cc(-c3nc(C(C)C)cs3)nc3c(C)c(OC)ccc23)CN1C(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C1(C)CC1

nearest known ligand 0.41

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	1/20	0.39

▸	CTSB	P07858	1/20	0.37

▸	PPP3CB	P16298	1/20	0.37

▸	CTSS	P25774	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
SCHEMBL10273822	0.96	CYP3A4 (0.45)	CYP3A4CTSBPPP3CB
SCHEMBL883369	0.96	CYP3A4 (0.45)	CYP3A4CTSBPPP3CB
SCHEMBL3478948	0.93	CTSS (0.38)	CYP3A4CTSBPPP3CBCTSS
SCHEMBL3478916	0.92	CYP3A4 (0.38)	CYP3A4CTSBPPP3CBCTSS
SCHEMBL883371	0.92	CTSS (0.37)	CYP3A4CTSBPPP3CBCTSS
SCHEMBL10273821	0.87	CTSS (0.40)	CTSS
SCHEMBL883327	0.85	CYP3A4 (0.45)	CYP3A4CTSBPPP3CBCTSS
SCHEMBL3478956	0.85	CYP3A4 (0.45)	CYP3A4CTSBPPP3CBCTSS
SCHEMBL1688359	0.84	CTSB (0.45)	CYP3A4CTSBPPP3CBCTSS
SCHEMBL3478926	0.84	CTSS (0.40)	CTSBPPP3CBCTSS

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-2012040242-A1	SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION	INTERMUNE, INC. (US)	2012-03-29	—	—	WO	disclosed