SCHEMBL13685693

CC(C)(C)OC(=O)N[C@H]1CCCCCCCCCC[C@@H](C(=O)C(N)=O)NC(=O)[C@@H]2C[C@@H](OC(C)(C)C)CN2C1=O

nearest known ligand 0.39

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	1/20	0.37

▸	F10	P00742	1/20	0.37

▸	PRSS1	P07477	1/20	0.37

▸	GAA	P10253	1/20	0.35

▸	BACE1	P56817	3/20	0.32

▸	PLG	P00747	1/20	0.31

▸	KEAP1	Q14145	1/20	0.31

▸	NAAA	Q02083	1/20	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
SCHEMBL16349820	0.94	GAA (0.35)	F2F10PRSS1GAABACE1
SCHEMBL8291443	0.85	F2 (0.43)	F2F10PRSS1GAA
SCHEMBL12856063	0.84	MME (0.31)	—
SCHEMBL16349811	0.79	F2 (0.42)	F2F10PRSS1GAA
SCHEMBL8048356	0.78	F2 (0.34)	F2F10PRSS1GAABACE1
SCHEMBL13685052	0.78	F2 (0.34)	F2F10PRSS1GAABACE1
SCHEMBL13685318	0.78	F2 (0.34)	F2F10PRSS1GAABACE1
SCHEMBL7858719	0.78	F2 (0.34)	F2F10PRSS1GAABACE1
SCHEMBL8290298	0.78	F2 (0.34)	F2F10PRSS1GAABACE1
SCHEMBL13685703	0.78	CASP3 (0.40)	BACE1

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