SCHEMBL7736073

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)NCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	MALT1	Q9UDY8	1/20	0.46

▸	ELANE	P08246	3/20	0.45

▸	CALCRL	Q16602	4/20	0.45

▸	CMA1	P23946	3/20	0.44

▸	KEAP1	Q14145	4/20	0.43

▸	AKT1	P31749	2/20	0.42

▸	OPRD1	P41143	1/20	0.42

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
SCHEMBL7736117	0.92	MALT1 (0.41)	MALT1ELANECALCRLCMA1KEAP1
SCHEMBL7728977	0.89	CMA1 (0.52)	MALT1ELANECALCRLCMA1KEAP1
SCHEMBL7736202	0.88	CMA1 (0.48)	CALCRLCMA1KEAP1AKT1
SCHEMBL7736050	0.88	CASP3 (0.41)	MALT1ELANECALCRLCMA1KEAP1
SCHEMBL7736353	0.88	CASP3 (0.41)	MALT1ELANECALCRLCMA1KEAP1
SCHEMBL7736683	0.88	CASP3 (0.41)	MALT1ELANECALCRLCMA1KEAP1
SCHEMBL7724765	0.87	MALT1 (0.43)	MALT1ELANECALCRLCMA1
SCHEMBL7736424	0.87	CALCRL (0.42)	MALT1ELANECALCRLCMA1KEAP1
SCHEMBL7737491	0.87	MALT1 (0.44)	MALT1ELANECALCRLCMA1KEAP1
SCHEMBL7728258	0.87	CALCRL (0.38)	MALT1ELANECALCRLCMA1KEAP1

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