SCHEMBL20052455

CC(C)[C@H](NC(=O)[C@H](CCc1cn(C)c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(=O)O

nearest known ligand 0.74

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CASP3	P42574	20/20	0.74

▸	CASP7	P55210	13/20	0.74

▸	CASP1	P29466	7/20	0.74

▸	CASP9	P55211	4/20	0.74

▸	CASP4	P49662	3/20	0.67

▸	CASP5	P51878	2/20	0.61

▸	CASP6	P55212	2/20	0.61

▸	CASP8	Q14790	2/20	0.61

▸	CASP10	Q92851	2/20	0.61

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
SCHEMBL20052416	0.93	CASP3 (0.78)	CASP3CASP7CASP1CASP9CASP4
SCHEMBL20355922	0.93	CASP3 (0.78)	CASP3CASP7CASP1CASP9CASP4
SCHEMBL15462689	0.93	CASP3 (0.78)	CASP3CASP7CASP1CASP9CASP4
SCHEMBL20355924	0.93	CASP3 (0.78)	CASP3CASP7CASP1CASP9CASP4
SCHEMBL20052427	0.91	CASP3 (0.61)	CASP3CASP7CASP1CASP9CASP4
SCHEMBL7887169	0.85	CASP3 (1.00)	CASP3CASP7CASP1CASP9CASP4
SCHEMBL7888495	0.85	CASP3 (0.90)	CASP3CASP7CASP1CASP9CASP4
SCHEMBL20355913	0.84	CASP3 (0.65)	CASP3CASP7CASP1CASP9CASP4
SCHEMBL15462695	0.84	CASP3 (0.65)	CASP3CASP7CASP1CASP9CASP4
SCHEMBL20355912	0.84	CASP3 (0.65)	CASP3CASP7CASP1CASP9CASP4

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