SCHEMBL7886070

Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccc3ccccc3n2)C(=O)NCC(=O)N[C@H](/C=C(\Cl)S(C)(=O)=O)CC(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CASP3	P42574	2/20	0.46

▸	CASP1	P29466	1/20	0.46

▸	CASP7	P55210	1/20	0.46

▸	CASP9	P55211	1/20	0.46

▸	PSMB8	P28062	15/20	0.40

▸	PSMB5	P28074	12/20	0.40

▸	ADAMTS4	O75173	1/20	0.36

▸	NPY5R	Q15761	1/20	0.36

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
SCHEMBL19015952	0.91	PSMB8 (0.39)	CASP3CASP1CASP7CASP9PSMB8
SCHEMBL7887004	0.90	CASP3 (0.53)	CASP3CASP1CASP7CASP9PSMB8
SCHEMBL18472733	0.88	CASP3 (0.59)	CASP3CASP1CASP7CASP9PSMB8
SCHEMBL7880525	0.88	CASP3 (0.59)	CASP3CASP1CASP7CASP9PSMB8
SCHEMBL18471652	0.78	CASP3 (0.69)	CASP3CASP1CASP7CASP9ADAMTS4
SCHEMBL7886597	0.78	CASP3 (0.69)	CASP3CASP1CASP7CASP9ADAMTS4
SCHEMBL19015891	0.76	NPY5R (0.41)	PSMB8PSMB5ADAMTS4NPY5R
SCHEMBL19015948	0.76	NPY5R (0.49)	PSMB8PSMB5ADAMTS4NPY5R
SCHEMBL19015900	0.75	CASP3 (0.51)	CASP3CASP1CASP7CASP9PSMB8
SCHEMBL18782302	0.74	CASP3 (0.45)	CASP3CASP1CASP7CASP9ADAMTS4

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