SCHEMBL9543839

CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N[C@@H](CCc1ccccc1)C(=O)N1c2ccccc2C[C@@H]1CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	ACE	P12821	1/20	0.43

▸	XIAP	P98170	2/20	0.40

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
SCHEMBL9544802	0.92	ACE (0.46)	ACE
SCHEMBL9544256	0.88	CTSK (0.51)	ACE
SCHEMBL9544975	0.88	CTSK (0.51)	ACE
SCHEMBL9542908	0.83	ACE (0.45)	ACE
SCHEMBL9544014	0.78	SCN9A (0.53)	ACE
SCHEMBL9544006	0.78	SCN9A (0.53)	ACE
SCHEMBL9543218	0.78	CYP1A2 (0.44)	ACE
SCHEMBL9544111	0.78	ELANE (0.47)	XIAP
SCHEMBL9544106	0.78	ELANE (0.47)	XIAP
SCHEMBL9542677	0.78	XIAP (0.45)	XIAP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-1993020099-A2	CCK AND/OR GASTRIN RECEPTOR LIGANDS	FERRING B.V. (NL)	1993-10-14	—	—	WO	claimed
WO-1993020099-A2	CCK AND/OR GASTRIN RECEPTOR LIGANDS	FERRING B.V. (NL)	1993-10-14	—	—	WO	disclosed