SCHEMBL18471652

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)O)C(C)C)cc1

nearest known ligand 0.69

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CASP3	P42574	16/20	0.69

▸	CASP7	P55210	11/20	0.69

▸	CASP9	P55211	4/20	0.69

▸	CASP1	P29466	4/20	0.69

▸	CASP10	Q92851	1/20	0.49

▸	ADAMTS4	O75173	2/20	0.45

▸	CASP4	P49662	1/20	0.37

▸	GFER	P55789	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
SCHEMBL7886597	1.00	CASP3 (0.69)	CASP3CASP7CASP9CASP1CASP10
SCHEMBL19015805	0.91	CASP3 (0.58)	CASP3CASP7CASP9CASP1CASP10
SCHEMBL18472733	0.90	CASP3 (0.59)	CASP3CASP7CASP9CASP1CASP10
SCHEMBL7880525	0.90	CASP3 (0.59)	CASP3CASP7CASP9CASP1CASP10
SCHEMBL7887004	0.87	CASP3 (0.53)	CASP3CASP7CASP9CASP1ADAMTS4
SCHEMBL19015846	0.84	CASP3 (0.74)	CASP3CASP7CASP9CASP1CASP10
SCHEMBL7890390	0.83	ADAMTS4 (0.57)	CASP3CASP7CASP9CASP1ADAMTS4
SCHEMBL18473182	0.83	ADAMTS4 (0.57)	CASP3CASP7CASP9CASP1ADAMTS4
SCHEMBL18782168	0.83	CASP3 (0.48)	CASP3CASP7CASP9CASP1ADAMTS4
SCHEMBL7970067	0.82	CASP3 (1.00)	CASP3CASP7CASP9CASP1CASP10

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