SCHEMBL13685390

CC(C)(C)OC(=O)N[C@H]1CCCOC(=O)NCCCC[C@@H](C=O)NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	ADAM17	P78536	5/20	0.34

▸	CAPN2	P17655	4/20	0.34

▸	GAA	P10253	1/20	0.32

▸	BACE1	P56817	1/20	0.31

▸	CCR2	P41597	1/20	0.31

▸	MMP9	P14780	1/20	0.30

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
SCHEMBL12607811	0.89	GAA (0.36)	CAPN2GAABACE1
SCHEMBL16349771	0.89	GAA (0.36)	CAPN2GAABACE1
SCHEMBL13685159	0.89	GAA (0.36)	CAPN2GAABACE1
SCHEMBL13684918	0.89	GAA (0.36)	CAPN2GAABACE1
SCHEMBL13684892	0.89	GAA (0.36)	CAPN2GAABACE1
SCHEMBL8291134	0.89	GAA (0.36)	CAPN2GAABACE1
SCHEMBL8291296	0.89	GAA (0.36)	CAPN2GAABACE1
SCHEMBL13685473	0.89	ADAM17 (0.35)	ADAM17CAPN2GAAMMP9
SCHEMBL13685460	0.89	ADAM17 (0.38)	ADAM17MMP9
SCHEMBL13685396	0.87	ADAM17 (0.37)	ADAM17BACE1CCR2MMP9

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
US-7592419-B2	Macrocyclic inhibitors of hepatitis C virus NS3-serine protease	SCHERING CORPORATION (US)	2009-09-22	—	—	US	disclosed