SCHEMBL19015784

CC(C)[C@H](NC(=O)C(CCCc1ccc2ccccc2n1)NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CC(=O)O

nearest known ligand 0.86

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	CASP3	P42574	19/20	0.86

▸	CASP7	P55210	12/20	0.86

▸	CASP1	P29466	7/20	0.72

▸	CASP9	P55211	4/20	0.72

▸	CASP4	P49662	1/20	0.58

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
SCHEMBL19015964	0.98	CASP3 (0.85)	CASP3CASP7CASP1CASP9CASP4
SCHEMBL18782212	0.97	CASP3 (0.90)	CASP3CASP7CASP1CASP9CASP4
SCHEMBL16377056	0.93	CASP3 (1.00)	CASP3CASP7CASP1CASP9CASP4
SCHEMBL9961937	0.93	CASP3 (1.00)	CASP3CASP7CASP1CASP9CASP4
SCHEMBL9961957	0.93	CASP3 (1.00)	CASP3CASP7CASP1CASP9CASP4
SCHEMBL18781766	0.90	CASP3 (0.88)	CASP3CASP7CASP1CASP9CASP4
SCHEMBL18782319	0.88	CASP3 (0.90)	CASP3CASP7CASP1CASP9CASP4
SCHEMBL18782019	0.88	CASP3 (0.74)	CASP3CASP7CASP1CASP9
SCHEMBL9961850	0.86	CASP3 (0.85)	CASP3CASP7CASP1CASP9CASP4
SCHEMBL18782291	0.86	CASP3 (0.88)	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
EP-2288615-B1	SELECTIVE CASPASE INHIBITORS AND USES THEREOF	GENESIS TECH LTD (BB)	2017-06-21	—	—	EP	disclosed