SCHEMBL16770283

CCS(=O)(=O)/C(Cl)=C/[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)c1ccccc1)C(C)C

nearest known ligand 0.72

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CASP3	P42574	19/20	0.72

▸	CASP7	P55210	13/20	0.72

▸	CASP9	P55211	6/20	0.72

▸	CASP10	Q92851	3/20	0.72

▸	CASP1	P29466	8/20	0.62

▸	CASP4	P49662	3/20	0.62

▸	CASP8	Q14790	2/20	0.58

▸	PSMB5	P28074	1/20	0.46

▸	CASP5	P51878	1/20	0.44

▸	CASP6	P55212	1/20	0.44

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
SCHEMBL9961963	0.95	CASP3 (0.81)	CASP3CASP7CASP9CASP10CASP1
SCHEMBL9961952	0.93	CASP3 (0.70)	CASP3CASP7CASP9CASP10CASP1
SCHEMBL9962320	0.92	CASP3 (0.75)	CASP3CASP7CASP9CASP10CASP1
SCHEMBL9962265	0.90	CASP3 (0.89)	CASP3CASP7CASP9CASP10CASP1
SCHEMBL15462678	0.88	CASP3 (0.62)	CASP3CASP7CASP9CASP10CASP1
SCHEMBL7888477	0.88	CASP3 (0.80)	CASP3CASP7CASP9CASP10CASP1
SCHEMBL7879243	0.88	CASP3 (0.80)	CASP3CASP7CASP9CASP10CASP1
SCHEMBL16770350	0.88	CASP3 (0.70)	CASP3CASP7CASP9CASP10CASP1
SCHEMBL9962260	0.87	CASP3 (0.83)	CASP3CASP7CASP9CASP10CASP1
SCHEMBL7889970	0.87	CASP3 (0.85)	CASP3CASP7CASP9CASP10CASP1

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
US-9045524-B2	Selective caspase inhibitors and uses thereof	NOVAGENESIS FOUNDATION (CH)	2015-06-02	—	—	US	disclosed