SCHEMBL13685689

CC(C)COC(=O)N[C@H]1CCC2OC2CCCC(C(=O)C(=O)NCC(=O)N[C@H](C(=O)OC(C)(C)C)c2ccccc2)NC(=O)[C@@H]2CCCN2C1=O

nearest known ligand 0.34

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	TERF2	Q15554	14/20	0.34

▸	BIRC3	Q13489	4/20	0.33

▸	XIAP	P98170	2/20	0.33

▸	BIRC2	Q13490	2/20	0.33

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
SCHEMBL13685681	0.91	TERF2 (0.34)	TERF2BIRC3XIAPBIRC2
SCHEMBL13685695	0.87	TERF2 (0.41)	TERF2BIRC3XIAPBIRC2
SCHEMBL13685734	0.85	TERF2 (0.32)	TERF2BIRC3XIAPBIRC2
SCHEMBL13685682	0.84	TERF2 (0.36)	TERF2BIRC3XIAPBIRC2
SCHEMBL13685680	0.84	TERF2 (0.43)	TERF2BIRC3XIAPBIRC2
SCHEMBL13685777	0.83	HDAC6 (0.33)	TERF2BIRC3XIAPBIRC2
SCHEMBL13685619	0.80	TERF2 (0.40)	TERF2BIRC3XIAPBIRC2
SCHEMBL13685735	0.80	TERF2 (0.37)	TERF2BIRC3XIAPBIRC2
SCHEMBL13685773	0.78	TERF2 (0.33)	TERF2BIRC3XIAPBIRC2
SCHEMBL13685776	0.77	TERF2 (0.41)	TERF2BIRC3XIAPBIRC2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-7592419-B2	Macrocyclic inhibitors of hepatitis C virus NS3-serine protease	SCHERING CORPORATION (US)	2009-09-22	—	—	US	disclosed
US-7592419-B2	Macrocyclic inhibitors of hepatitis C virus NS3-serine protease	SCHERING CORPORATION (US)	2009-09-22	—	—	US	disclosed