SCHEMBL16349735

CC(=O)C(O)[C@@H]1CCCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C

nearest known ligand 0.41

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	7/20	0.37

▸	GAA	P10253	1/20	0.35

▸	CTSD	P07339	7/20	0.34

▸	F2	P00734	1/20	0.32

▸	F10	P00742	1/20	0.32

▸	PRSS1	P07477	1/20	0.32

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
SCHEMBL16349766	1.00	BACE1 (0.37)	BACE1GAACTSDF2F10
SCHEMBL13685168	0.92	BACE1 (0.37)	BACE1GAACTSDF2F10
SCHEMBL13685313	0.92	BACE1 (0.37)	BACE1GAACTSDF2F10
SCHEMBL8290583	0.92	BACE1 (0.37)	BACE1GAACTSDF2F10
SCHEMBL13684890	0.92	BACE1 (0.37)	BACE1GAACTSDF2F10
SCHEMBL12606590	0.90	BACE1 (0.36)	BACE1GAACTSDF2F10
SCHEMBL8291296	0.89	GAA (0.36)	BACE1GAAF2F10PRSS1
SCHEMBL12607811	0.89	GAA (0.36)	BACE1GAAF2F10PRSS1
SCHEMBL13685159	0.89	GAA (0.36)	BACE1GAAF2F10PRSS1
SCHEMBL13684892	0.89	GAA (0.36)	BACE1GAAF2F10PRSS1

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