SCHEMBL3718444

CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)C=[C]Cl)N(C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1)c1ccc2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CASP3	P42574	16/20	0.50

▸	CASP7	P55210	13/20	0.50

▸	CASP1	P29466	8/20	0.50

▸	CASP9	P55211	5/20	0.50

▸	CASP10	Q92851	2/20	0.40

▸	CASP4	P49662	2/20	0.38

▸	CASP8	Q14790	1/20	0.38

▸	CTSL	P07711	1/20	0.37

▸	CTSB	P07858	1/20	0.37

▸	CTSS	P25774	1/20	0.37

▸	CTSK	P43235	1/20	0.37

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
SCHEMBL1396580	0.90	CASP3 (0.52)	CASP3CASP7CASP1CASP9CASP10
SCHEMBL1396434	0.88	CASP3 (0.51)	CASP3CASP7CASP1CASP9CASP10
SCHEMBL1396589	0.88	CASP3 (0.59)	CASP3CASP7CASP1CASP9CASP10
SCHEMBL9929920	0.86	CASP3 (0.48)	CASP3CASP7CASP1CASP9CTSL
SCHEMBL3718219	0.82	CASP3 (0.48)	CASP3CASP7CASP1CASP9CASP10
SCHEMBL1396588	0.80	CASP3 (0.49)	CASP3CASP7CASP1CASP9CASP10
SCHEMBL1396473	0.76	CASP3 (0.52)	CASP3CASP7CASP1CASP9CASP10
SCHEMBL1396481	0.75	CASP3 (0.47)	CASP3CASP7CASP1CASP9CASP10
SCHEMBL9929932	0.74	CASP1 (0.47)	CASP3CASP7CASP1CASP9CASP10
SCHEMBL1396586	0.73	CASP3 (0.47)	CASP3CASP7CASP1CASP9CASP10

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