SCHEMBL8663889

CC(C)(C)OC(=O)N(CCc1ccccc1)C(=O)Nc1cc(C(=O)OCc2ccccc2)cc(C(=O)OCc2ccccc2)c1.CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	ACE	P12821	2/20	0.49

▸	PPARA	Q07869	2/20	0.43

▸	ITGB3	P05106	4/20	0.43

▸	ITGA2B	P08514	3/20	0.43

▸	ITGAV	P06756	2/20	0.43

▸	ITGB1	P05556	1/20	0.43

▸	ITGB5	P18084	1/20	0.43

▸	PTPN1	P18031	3/20	0.42

▸	PPARG	P37231	1/20	0.42

▸	CTSS	P25774	3/20	0.42

▸	CTSL	P07711	3/20	0.42

▸	CTSK	P43235	2/20	0.42

▸	CTSB	P07858	1/20	0.42

▸	KLK5	Q9Y337	1/20	0.40

▸	MAPK1	P28482	1/20	0.39

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
SCHEMBL8992651	0.89	RAB9A (0.47)	—
SCHEMBL8129548	0.87	RAB9A (0.45)	—
SCHEMBL8992582	0.82	RAB9A (0.58)	MAPK1
SCHEMBL8122930	0.82	CTSS (0.56)	ACECTSSCTSLCTSKCTSB
SCHEMBL8903055	0.81	RAB9A (0.42)	PTPN1
SCHEMBL3725007	0.76	ACE (0.59)	ACEPPARAITGB3ITGA2BITGAV
SCHEMBL3725005	0.76	ACE (0.59)	ACEPPARAITGB3ITGA2BITGAV
SCHEMBL8650559	0.75	RAB9A (0.56)	—
SCHEMBL8992625	0.75	ALDH1A1 (0.48)	MAPK1
SCHEMBL8666823	0.75	RAB9A (0.58)	ACECTSSCTSLCTSKCTSB

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-0719251-B1	BICYCLO (2.2.2) OCTANE DERIVATIVES CHOLECYSTOKININ AND/OR GASTRIN ANTAGONISTS	BLACK JAMES FOUNDATION (GB)	1998-12-09	—	—	EP	disclosed