SCHEMBL24372015

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NC1CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.51

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CMA1	P23946	12/20	0.51

▸	REN	P00797	3/20	0.47

▸	ITGB3	P05106	1/20	0.46

▸	ITGA2B	P08514	1/20	0.46

▸	F2	P00734	1/20	0.45

▸	PRSS1	P07477	1/20	0.45

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
SCHEMBL13323714	1.00	CMA1 (0.51)	CMA1RENITGB3ITGA2BF2
SCHEMBL30094430	0.94	CMA1 (0.50)	CMA1RENITGB3ITGA2BF2
SCHEMBL13863164	0.92	CMA1 (0.47)	CMA1RENITGB3ITGA2BF2
SCHEMBL22127851	0.92	CMA1 (0.48)	CMA1RENITGB3ITGA2B
SCHEMBL22127849	0.92	CMA1 (0.48)	CMA1RENITGB3ITGA2B
SCHEMBL13323713	0.92	CMA1 (0.48)	CMA1RENITGB3ITGA2B
SCHEMBL22127914	0.92	CMA1 (0.48)	CMA1RENITGB3ITGA2B
SCHEMBL22127917	0.92	CMA1 (0.48)	CMA1RENITGB3ITGA2B
SCHEMBL17754790	0.92	CMA1 (0.48)	CMA1RENITGB3ITGA2B
SCHEMBL13323719	0.92	CMA1 (0.48)	CMA1RENITGB3ITGA2B

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-3988561-A1	PREPARATION AND USE OF REACTIVE OXYGEN SPECIES SCAVENGER	XWPharma Ltd. (KY)	2022-04-27	—	—	EP	disclosed