SCHEMBL7728224

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)NC(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CASP3	P42574	7/20	0.43

▸	CASP2	P42575	7/20	0.43

▸	MALT1	Q9UDY8	1/20	0.43

▸	CALCRL	Q16602	3/20	0.42

▸	ELANE	P08246	3/20	0.42

▸	CMA1	P23946	3/20	0.42

▸	ACE	P12821	2/20	0.39

▸	REN	P00797	1/20	0.39

▸	CTSL	P07711	1/20	0.39

▸	CTSB	P07858	1/20	0.39

▸	CTSK	P43235	1/20	0.39

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
SCHEMBL7736084	0.95	CASP3 (0.44)	CASP3CASP2MALT1CALCRLELANE
SCHEMBL7724765	0.94	MALT1 (0.43)	CASP3CASP2MALT1CALCRLELANE
SCHEMBL7736683	0.94	CASP3 (0.41)	CASP3CASP2MALT1CALCRLELANE
SCHEMBL7735850	0.94	CMA1 (0.43)	CASP3CASP2MALT1CALCRLELANE
SCHEMBL7736353	0.94	CASP3 (0.41)	CASP3CASP2MALT1CALCRLELANE
SCHEMBL7736050	0.94	CASP3 (0.41)	CASP3CASP2MALT1CALCRLELANE
SCHEMBL7735845	0.93	CALCRL (0.45)	CASP3CASP2MALT1CALCRLELANE
SCHEMBL7725308	0.93	CMA1 (0.43)	CASP3CASP2MALT1CALCRLELANE
SCHEMBL7736381	0.93	MALT1 (0.43)	CASP3CASP2MALT1CALCRLELANE
SCHEMBL7735915	0.92	MALT1 (0.42)	CASP3CASP2MALT1CALCRLELANE

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