SCHEMBL18472733

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

nearest known ligand 0.59

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CASP3	P42574	10/20	0.59

▸	CASP7	P55210	7/20	0.59

▸	CASP9	P55211	3/20	0.59

▸	CASP1	P29466	2/20	0.59

▸	CASP10	Q92851	1/20	0.42

▸	ADAMTS4	O75173	3/20	0.42

▸	PSMB8	P28062	3/20	0.35

▸	PSMB5	P28074	3/20	0.35

▸	GFER	P55789	1/20	0.34

▸	CYSLTR1	Q9Y271	1/20	0.34

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
SCHEMBL7880525	1.00	CASP3 (0.59)	CASP3CASP7CASP9CASP1CASP10
SCHEMBL7886597	0.90	CASP3 (0.69)	CASP3CASP7CASP9CASP1CASP10
SCHEMBL18471652	0.90	CASP3 (0.69)	CASP3CASP7CASP9CASP1CASP10
SCHEMBL7886070	0.88	CASP3 (0.46)	CASP3CASP7CASP9CASP1ADAMTS4
SCHEMBL18782302	0.84	CASP3 (0.45)	CASP3CASP7CASP9CASP1ADAMTS4
SCHEMBL7976025	0.83	CASP3 (0.83)	CASP3CASP7CASP9CASP1CASP10
SCHEMBL19015805	0.81	CASP3 (0.58)	CASP3CASP7CASP9CASP1CASP10
SCHEMBL19015952	0.80	PSMB8 (0.39)	CASP3CASP7CASP9CASP1ADAMTS4
SCHEMBL12829758	0.79	CASP3 (0.75)	CASP3CASP7CASP9CASP1CASP10
SCHEMBL18473182	0.78	ADAMTS4 (0.57)	CASP3CASP7CASP9CASP1ADAMTS4

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-9562069-B2	Selective caspase inhibitors and uses thereof	NEW WORLD LABORATORIES INC. (CA)	2017-02-07	—	—	US	disclosed