SCHEMBL14452001

CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CC1)C(=O)C(N)=O)C2(C)C)C1CCC(F)(F)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CTSV	O60911	1/20	0.56

▸	CTSL	P07711	1/20	0.56

▸	CTSB	P07858	1/20	0.56

▸	ELANE	P08246	1/20	0.56

▸	CMA1	P23946	1/20	0.56

▸	CTSS	P25774	1/20	0.56

▸	CTSK	P43235	1/20	0.56

▸	CTSF	Q9UBX1	1/20	0.56

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
SCHEMBL14378352	1.00	CTSV (0.56)	CTSVCTSLCTSBELANECMA1
SCHEMBL16300814	1.00	CTSV (0.56)	CTSVCTSLCTSBELANECMA1
SCHEMBL14452002	1.00	CTSV (0.56)	CTSVCTSLCTSBELANECMA1
SCHEMBL14402049	1.00	CTSV (0.56)	CTSVCTSLCTSBELANECMA1
SCHEMBL10140258	1.00	CTSV (0.56)	CTSVCTSLCTSBELANECMA1
SCHEMBL14451279	0.97	CTSV (0.60)	CTSVCTSLCTSBELANECMA1
SCHEMBL13689672	0.97	CTSV (0.60)	CTSVCTSLCTSBELANECMA1
SCHEMBL16300799	0.93	CTSV (0.47)	CTSVCTSLCTSBELANECMA1
SCHEMBL16300681	0.93	CTSV (0.47)	CTSVCTSLCTSBELANECMA1
SCHEMBL12605761	0.93	CTSS (0.47)	CTSVCTSLCTSBELANECMA1

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-RE43298-E1	Peptides as NS3-serine protease inhibitors of hepatitis C virus	SCHERING CORPORATION (US)	2012-04-03	—	—	US	disclosed
US-7244721-B2	Peptides as NS3-serine protease inhibitors of hepatitis C virus	SCHERING CORPORATION (US)	2007-07-17	—	—	US	disclosed