SCHEMBL7879121

CS(=O)(=O)/C=C/[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1)C1Cc2ccccc2C1

nearest known ligand 0.77

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CASP3	P42574	18/20	0.77

▸	CASP7	P55210	12/20	0.77

▸	CASP1	P29466	7/20	0.77

▸	CASP9	P55211	4/20	0.57

▸	CASP4	P49662	3/20	0.57

▸	CASP5	P51878	2/20	0.55

▸	CASP8	Q14790	2/20	0.55

▸	CASP10	Q92851	2/20	0.55

▸	CASP2	P42575	1/20	0.55

▸	PSMB5	P28074	1/20	0.48

▸	CASP6	P55212	1/20	0.47

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
SCHEMBL18781763	1.00	CASP3 (0.77)	CASP3CASP7CASP1CASP9CASP4
SCHEMBL18781767	0.93	CASP3 (0.78)	CASP3CASP7CASP1CASP9CASP4
SCHEMBL18782310	0.91	CASP3 (0.69)	CASP3CASP7CASP1CASP9CASP4
SCHEMBL18471432	0.88	CASP3 (0.66)	CASP3CASP7CASP1CASP9CASP4
SCHEMBL7886300	0.87	CASP3 (1.00)	CASP3CASP7CASP1CASP9CASP4
SCHEMBL18473178	0.87	CASP3 (1.00)	CASP3CASP7CASP1CASP9CASP4
SCHEMBL19015901	0.87	CASP3 (0.59)	CASP3CASP7CASP1CASP9CASP4
SCHEMBL19015829	0.86	CASP3 (0.60)	CASP3CASP7CASP1CASP9CASP4
SCHEMBL18782011	0.84	CASP3 (0.75)	CASP3CASP7CASP1CASP9CASP4
SCHEMBL19015962	0.84	CASP3 (0.75)	CASP3CASP7CASP1CASP9CASP4

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