SCHEMBL7879232

CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1)c1ccccc1)C(=O)NC(/C=C/S(=O)(=O)c1ccccc1)CC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CASP3	P42574	19/20	1.00

▸	CASP7	P55210	13/20	1.00

▸	CASP1	P29466	6/20	0.85

▸	CASP4	P49662	2/20	0.85

▸	CASP9	P55211	4/20	0.74

▸	CASP10	Q92851	2/20	0.74

▸	CASP8	Q14790	1/20	0.74

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
SCHEMBL9961935	1.00	CASP3 (1.00)	CASP3CASP7CASP1CASP4CASP9
SCHEMBL7886294	0.92	CASP3 (1.00)	CASP3CASP7CASP1CASP4CASP9
SCHEMBL9961961	0.91	CASP3 (0.86)	CASP3CASP7CASP1CASP4CASP9
SCHEMBL9961956	0.91	CASP3 (0.86)	CASP3CASP7CASP1CASP4CASP9
SCHEMBL18471362	0.91	CASP1 (0.85)	CASP3CASP7CASP1CASP4CASP9
SCHEMBL9961850	0.90	CASP3 (0.85)	CASP3CASP7CASP1CASP4CASP9
SCHEMBL9962339	0.90	CASP3 (0.81)	CASP3CASP7CASP1CASP4CASP9
SCHEMBL9962404	0.88	CASP3 (0.89)	CASP3CASP7CASP1CASP4CASP9
SCHEMBL7882808	0.88	CASP3 (0.89)	CASP3CASP7CASP1CASP4CASP9
SCHEMBL15462711	0.87	CASP3 (0.89)	CASP3CASP7CASP1CASP4CASP9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2010133000-A1	SELECTIVE CASPASE INHIBITORS AND USES THEREOF	NEW WORLD LABORATORIES INC. (CA)	2010-11-25	—	—	WO	disclosed