SCHEMBL7728874

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

nearest known ligand 0.43

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	7/20	0.43

▸	NPY1R	P25929	1/20	0.42

▸	CALCRL	Q16602	3/20	0.40

▸	NMUR2	Q9GZQ4	1/20	0.39

▸	TFPI	P10646	2/20	0.39

▸	F2	P00734	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
SCHEMBL7736827	0.96	KEAP1 (0.41)	KEAP1NPY1RCALCRLNMUR2F2
SCHEMBL7737025	0.95	KEAP1 (0.41)	KEAP1CALCRLTFPIF2
SCHEMBL7735916	0.94	CALCRL (0.43)	KEAP1CALCRL
SCHEMBL7736353	0.93	CASP3 (0.41)	KEAP1CALCRL
SCHEMBL7736683	0.93	CASP3 (0.41)	KEAP1CALCRL
SCHEMBL7736050	0.93	CASP3 (0.41)	KEAP1CALCRL
SCHEMBL7736573	0.92	CAPN1 (0.40)	KEAP1CALCRLTFPI
SCHEMBL7739115	0.92	KEAP1 (0.39)	KEAP1CALCRLNMUR2
SCHEMBL7736387	0.91	APLNR (0.42)	KEAP1TFPIF2
SCHEMBL7729789	0.91	KEAP1 (0.41)	KEAP1NPY1RF2

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