SCHEMBL7735845

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(N)=O

nearest known ligand 0.45

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	5/20	0.45

▸	CASP3	P42574	5/20	0.43

▸	CASP2	P42575	5/20	0.43

▸	MALT1	Q9UDY8	1/20	0.43

▸	ELANE	P08246	2/20	0.42

▸	CMA1	P23946	1/20	0.42

▸	GRB2	P62993	1/20	0.41

▸	PRMT5	O14744	1/20	0.40

▸	WDR77	Q9BQA1	1/20	0.40

▸	ACE	P12821	2/20	0.39

▸	REN	P00797	1/20	0.39

▸	SLC6A2	P23975	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)	CALCRLCASP3CASP2MALT1ELANE
SCHEMBL7728224	0.93	CASP3 (0.43)	CALCRLCASP3CASP2MALT1ELANE
SCHEMBL7735916	0.92	CALCRL (0.43)	CALCRLCASP3CASP2MALT1ELANE
SCHEMBL7724765	0.91	MALT1 (0.43)	CALCRLCASP3CASP2MALT1ELANE
SCHEMBL7736050	0.90	CASP3 (0.41)	CALCRLCASP3CASP2MALT1ELANE
SCHEMBL7736353	0.90	CASP3 (0.41)	CALCRLCASP3CASP2MALT1ELANE
SCHEMBL7735850	0.90	CMA1 (0.43)	CALCRLCASP3CASP2MALT1ELANE
SCHEMBL7736683	0.90	CASP3 (0.41)	CALCRLCASP3CASP2MALT1ELANE
SCHEMBL7725308	0.90	CMA1 (0.43)	CALCRLCASP3CASP2MALT1ELANE
SCHEMBL7736381	0.90	MALT1 (0.43)	CALCRLCASP3CASP2MALT1ELANE

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