SCHEMBL7736683

CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(C)C)C(C)C)C(=O)C(=O)NCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CASP3	P42574	5/20	0.41

▸	CASP2	P42575	5/20	0.41

▸	CALCRL	Q16602	4/20	0.41

▸	MALT1	Q9UDY8	1/20	0.41

▸	CMA1	P23946	3/20	0.40

▸	ELANE	P08246	4/20	0.40

▸	KEAP1	Q14145	1/20	0.38

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
SCHEMBL7736050	1.00	CASP3 (0.41)	CASP3CASP2CALCRLMALT1CMA1
SCHEMBL7736353	1.00	CASP3 (0.41)	CASP3CASP2CALCRLMALT1CMA1
SCHEMBL7735915	0.98	MALT1 (0.42)	CASP3CASP2CALCRLMALT1CMA1
SCHEMBL7736114	0.96	CALCRL (0.43)	CASP3CASP2CALCRLMALT1CMA1
SCHEMBL7729363	0.96	CALCRL (0.44)	CASP3CASP2CALCRLMALT1CMA1
SCHEMBL7736400	0.96	CALCRL (0.44)	CASP3CASP2CALCRLMALT1CMA1
SCHEMBL7729300	0.96	CALCRL (0.44)	CASP3CASP2CALCRLMALT1CMA1
SCHEMBL7728310	0.96	CASP3 (0.43)	CASP3CASP2CALCRLMALT1CMA1
SCHEMBL7727913	0.95	F2 (0.41)	CASP3CASP2CALCRLMALT1
SCHEMBL7729271	0.95	MALT1 (0.40)	CASP3CASP2CALCRLMALT1CMA1

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-6800434-B2	Peptides as NS3-serine protease inhibitors of hepatitis C virus	SCHERING CORPORATION	2004-10-05	—	—	US	disclosed
US-6800434-B2	Peptides as NS3-serine protease inhibitors of hepatitis C virus	SCHERING CORPORATION	2004-10-05	—	—	US	disclosed