SCHEMBL7888193

CCOC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)NC/C=C(\Cl)S(=O)(=O)C(C)C)C(C)C)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CASP3	P42574	14/20	0.60

▸	CASP7	P55210	10/20	0.60

▸	CASP9	P55211	5/20	0.60

▸	CASP10	Q92851	2/20	0.60

▸	CASP1	P29466	6/20	0.57

▸	CASP4	P49662	2/20	0.57

▸	CASP8	Q14790	1/20	0.57

▸	CTSB	P07858	1/20	0.41

▸	CTSK	P43235	1/20	0.41

▸	CA2	P00918	1/20	0.41

▸	CA5A	P35218	1/20	0.41

▸	CTSL	P07711	1/20	0.41

▸	CTSS	P25774	1/20	0.41

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
SCHEMBL7878192	0.93	CASP3 (0.68)	CASP3CASP7CASP9CASP10CASP1
SCHEMBL9962316	0.89	CASP3 (0.72)	CASP3CASP7CASP9CASP10CASP1
SCHEMBL7886082	0.88	CASP3 (0.59)	CASP3CASP7CASP9CASP10CASP1
SCHEMBL7882800	0.87	CASP3 (0.66)	CASP3CASP7CASP9CASP10CASP1
SCHEMBL9962260	0.84	CASP3 (0.83)	CASP3CASP7CASP9CASP10CASP1
SCHEMBL9962320	0.84	CASP3 (0.75)	CASP3CASP7CASP9CASP10CASP1
SCHEMBL7888146	0.83	CASP3 (0.55)	CASP3CASP7CASP9CASP10CASP1
SCHEMBL7889716	0.82	CASP3 (0.65)	CASP3CASP7CASP9CASP10CASP1
SCHEMBL9961964	0.82	CASP3 (0.88)	CASP3CASP7CASP9CASP10CASP1
SCHEMBL9962309	0.81	CASP3 (0.87)	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
WO-2010133000-A1	SELECTIVE CASPASE INHIBITORS AND USES THEREOF	NEW WORLD LABORATORIES INC. (CA)	2010-11-25	—	—	WO	disclosed