SCHEMBL7735916

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(N)=O

nearest known ligand 0.43

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	5/20	0.43

▸	KEAP1	Q14145	4/20	0.41

▸	CASP3	P42574	2/20	0.40

▸	CASP2	P42575	2/20	0.40

▸	MALT1	Q9UDY8	1/20	0.40

▸	CMA1	P23946	1/20	0.39

▸	ELANE	P08246	2/20	0.39

▸	PRMT5	O14744	1/20	0.39

▸	WDR77	Q9BQA1	1/20	0.39

▸	GRB2	P62993	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
SCHEMBL7736683	0.95	CASP3 (0.41)	CALCRLKEAP1CASP3CASP2MALT1
SCHEMBL7736353	0.95	CASP3 (0.41)	CALCRLKEAP1CASP3CASP2MALT1
SCHEMBL7736050	0.95	CASP3 (0.41)	CALCRLKEAP1CASP3CASP2MALT1
SCHEMBL7728874	0.94	KEAP1 (0.43)	CALCRLKEAP1
SCHEMBL7736827	0.93	KEAP1 (0.41)	CALCRLKEAP1CASP3CASP2MALT1
SCHEMBL7735915	0.93	MALT1 (0.42)	CALCRLKEAP1CASP3CASP2MALT1
SCHEMBL7737025	0.93	KEAP1 (0.41)	CALCRLKEAP1
SCHEMBL7724765	0.92	MALT1 (0.43)	CALCRLCASP3CASP2MALT1CMA1
SCHEMBL7736117	0.92	MALT1 (0.41)	CALCRLKEAP1CASP3CASP2MALT1
SCHEMBL7735850	0.92	CMA1 (0.43)	CALCRLKEAP1CASP3CASP2MALT1

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