SCHEMBL7736827

CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(C)C)C(=O)C(=O)NCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	3/20	0.41

▸	CALCRL	Q16602	4/20	0.41

▸	PRMT5	O14744	1/20	0.40

▸	WDR77	Q9BQA1	1/20	0.40

▸	MALT1	Q9UDY8	1/20	0.39

▸	F2	P00734	4/20	0.39

▸	CMA1	P23946	2/20	0.39

▸	NPY1R	P25929	1/20	0.39

▸	NMUR2	Q9GZQ4	1/20	0.39

▸	CASP3	P42574	1/20	0.38

▸	CASP2	P42575	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
SCHEMBL7728874	0.96	KEAP1 (0.43)	KEAP1CALCRLF2NPY1RNMUR2
SCHEMBL7735915	0.95	MALT1 (0.42)	KEAP1CALCRLMALT1CMA1CASP3
SCHEMBL7728310	0.95	CASP3 (0.43)	KEAP1CALCRLPRMT5WDR77MALT1
SCHEMBL7736050	0.94	CASP3 (0.41)	KEAP1CALCRLMALT1CMA1CASP3
SCHEMBL7736353	0.94	CASP3 (0.41)	KEAP1CALCRLMALT1CMA1CASP3
SCHEMBL7736683	0.94	CASP3 (0.41)	KEAP1CALCRLMALT1CMA1CASP3
SCHEMBL7735916	0.93	CALCRL (0.43)	KEAP1CALCRLPRMT5WDR77MALT1
SCHEMBL7736380	0.93	ITGB3 (0.40)	KEAP1CALCRLMALT1CMA1
SCHEMBL7729271	0.93	MALT1 (0.40)	KEAP1CALCRLMALT1F2CMA1
SCHEMBL7736364	0.93	MALT1 (0.40)	KEAP1CALCRLMALT1F2CMA1

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