SCHEMBL7724858

C#CCOC(=O)CNC(=O)C(=O)[C@H](CCC)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

nearest known ligand 0.40

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	MALT1	Q9UDY8	1/20	0.40

▸	CALCRL	Q16602	5/20	0.40

▸	CMA1	P23946	5/20	0.39

▸	CASP3	P42574	3/20	0.39

▸	CASP2	P42575	3/20	0.39

▸	ELANE	P08246	3/20	0.37

▸	EPHA2	P29317	1/20	0.37

▸	KEAP1	Q14145	1/20	0.36

▸	PTPN1	P18031	1/20	0.36

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
SCHEMBL7736665	0.93	MALT1 (0.41)	MALT1CALCRLCMA1CASP3CASP2
SCHEMBL7736326	0.93	CMA1 (0.41)	MALT1CALCRLCMA1CASP3CASP2
SCHEMBL7724818	0.91	CASP3 (0.40)	MALT1CALCRLCMA1CASP3CASP2
SCHEMBL7728258	0.90	CALCRL (0.38)	MALT1CALCRLCMA1CASP3CASP2
SCHEMBL7736078	0.90	CMA1 (0.46)	MALT1CALCRLCMA1CASP3CASP2
SCHEMBL7736050	0.90	CASP3 (0.41)	MALT1CALCRLCMA1CASP3CASP2
SCHEMBL7736353	0.90	CASP3 (0.41)	MALT1CALCRLCMA1CASP3CASP2
SCHEMBL7736683	0.90	CASP3 (0.41)	MALT1CALCRLCMA1CASP3CASP2
SCHEMBL7724771	0.90	CASP3 (0.40)	MALT1CALCRLCMA1CASP3CASP2
SCHEMBL7724238	0.90	CASP3 (0.40)	MALT1CALCRLCMA1CASP3CASP2

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