SCHEMBL20052369

CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)c1ccccc1)C(=O)N[C@H](/C=C/S(C)(=O)=O)CCCOC(C)(C)C

nearest known ligand 0.70

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CASP3	P42574	17/20	0.70

▸	CASP7	P55210	11/20	0.70

▸	CASP1	P29466	7/20	0.70

▸	CASP4	P49662	3/20	0.70

▸	CASP9	P55211	5/20	0.59

▸	CASP10	Q92851	3/20	0.57

▸	CASP8	Q14790	2/20	0.54

▸	PSMB5	P28074	2/20	0.53

▸	CASP5	P51878	1/20	0.51

▸	CASP6	P55212	1/20	0.51

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
SCHEMBL15462634	0.92	CASP3 (0.74)	CASP3CASP7CASP1CASP4CASP9
SCHEMBL7888477	0.92	CASP3 (0.80)	CASP3CASP7CASP1CASP4CASP9
SCHEMBL7879243	0.92	CASP3 (0.80)	CASP3CASP7CASP1CASP4CASP9
SCHEMBL9961962	0.86	CASP3 (0.72)	CASP3CASP7CASP1CASP4CASP9
SCHEMBL9962321	0.85	CASP3 (0.70)	CASP3CASP7CASP1CASP4CASP9
SCHEMBL16770350	0.85	CASP3 (0.70)	CASP3CASP7CASP1CASP4CASP9
SCHEMBL7885014	0.84	CASP3 (0.85)	CASP3CASP7CASP1CASP4CASP9
SCHEMBL15462711	0.84	CASP3 (0.89)	CASP3CASP7CASP1CASP4CASP9
SCHEMBL20356096	0.84	CASP3 (0.89)	CASP3CASP7CASP1CASP4CASP9
SCHEMBL7887099	0.83	CASP3 (0.76)	CASP3CASP7CASP1CASP4CASP9

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-9944674-B2	Selective cysteine protease inhibitors and uses thereof	GENESIS TECHNOLOGIES LIMITED (BB)	2018-04-17	—	—	US	disclosed