SCHEMBL7736573

CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)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 0.40

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CAPN1	P07384	2/20	0.40

▸	KEAP1	Q14145	3/20	0.39

▸	RAMP3	O60896	2/20	0.38

▸	CALCR	P30988	2/20	0.38

▸	AKT1	P31749	2/20	0.38

▸	CALCRL	Q16602	2/20	0.38

▸	CASP3	P42574	1/20	0.37

▸	CASP2	P42575	1/20	0.37

▸	MALT1	Q9UDY8	1/20	0.37

▸	TFPI	P10646	2/20	0.37

▸	PTPN1	P18031	1/20	0.37

▸	OPRM1	P35372	1/20	0.36

▸	OPRD1	P41143	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
SCHEMBL7729271	0.95	MALT1 (0.40)	CAPN1KEAP1CALCRLCASP3CASP2
SCHEMBL7736050	0.95	CASP3 (0.41)	KEAP1CALCRLCASP3CASP2MALT1
SCHEMBL7736683	0.95	CASP3 (0.41)	KEAP1CALCRLCASP3CASP2MALT1
SCHEMBL7736353	0.95	CASP3 (0.41)	KEAP1CALCRLCASP3CASP2MALT1
SCHEMBL7739115	0.94	KEAP1 (0.39)	KEAP1AKT1CALCRLCASP3CASP2
SCHEMBL7736387	0.93	APLNR (0.42)	KEAP1AKT1CASP3CASP2MALT1
SCHEMBL7729789	0.93	KEAP1 (0.41)	CAPN1KEAP1RAMP3CALCR
SCHEMBL7735915	0.93	MALT1 (0.42)	KEAP1CALCRLCASP3CASP2MALT1
SCHEMBL7737025	0.93	KEAP1 (0.41)	KEAP1AKT1CALCRLTFPI
SCHEMBL7737613	0.93	CASP3 (0.38)	KEAP1AKT1CALCRLCASP3CASP2

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