SCHEMBL13685690

CC(C)(C)[C@H](NC(=O)N[C@H]1CCCCCCCCC[C@@H](C(=O)C(N)=O)NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CTSV	O60911	1/20	0.35

▸	CTSL	P07711	1/20	0.35

▸	CTSB	P07858	1/20	0.35

▸	ELANE	P08246	1/20	0.35

▸	CMA1	P23946	1/20	0.35

▸	CTSS	P25774	1/20	0.35

▸	CTSK	P43235	1/20	0.35

▸	CTSF	Q9UBX1	1/20	0.35

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
SCHEMBL8255465	0.90	—	—
SCHEMBL8290586	0.90	—	—
SCHEMBL8290299	0.89	CTSV (0.35)	CTSVCTSLCTSBELANECMA1
SCHEMBL12608361	0.89	CTSV (0.35)	CTSVCTSLCTSBELANECMA1
SCHEMBL13685078	0.89	CTSV (0.35)	CTSVCTSLCTSBELANECMA1
SCHEMBL8248377	0.88	—	—
SCHEMBL8291298	0.88	—	—
SCHEMBL13685615	0.88	CTSV (0.32)	CTSVCTSLCTSBELANECMA1
SCHEMBL7857551	0.85	CTSV (0.33)	CTSVCTSLCTSBELANECMA1
SCHEMBL16349662	0.84	—	—

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