SCHEMBL7735850

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)NCCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CMA1	P23946	2/20	0.43

▸	MALT1	Q9UDY8	1/20	0.42

▸	CASP3	P42574	5/20	0.41

▸	CASP2	P42575	5/20	0.41

▸	CALCRL	Q16602	3/20	0.41

▸	ELANE	P08246	3/20	0.40

▸	ITGB3	P05106	2/20	0.39

▸	ITGA2B	P08514	2/20	0.39

▸	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
SCHEMBL7724765	0.98	MALT1 (0.43)	CMA1MALT1CASP3CASP2CALCRL
SCHEMBL7736381	0.96	MALT1 (0.43)	CMA1MALT1CASP3CASP2CALCRL
SCHEMBL7736353	0.94	CASP3 (0.41)	CMA1MALT1CASP3CASP2CALCRL
SCHEMBL7736050	0.94	CASP3 (0.41)	CMA1MALT1CASP3CASP2CALCRL
SCHEMBL7736683	0.94	CASP3 (0.41)	CMA1MALT1CASP3CASP2CALCRL
SCHEMBL7728224	0.94	CASP3 (0.43)	CMA1MALT1CASP3CASP2CALCRL
SCHEMBL7726755	0.94	MALT1 (0.42)	CMA1MALT1CASP3CASP2CALCRL
SCHEMBL7732951	0.94	MALT1 (0.42)	CMA1MALT1CASP3CASP2CALCRL
SCHEMBL7736117	0.93	MALT1 (0.41)	CMA1MALT1CASP3CASP2CALCRL
SCHEMBL7735915	0.92	MALT1 (0.42)	CMA1MALT1CASP3CASP2CALCRL

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