SCHEMBL7353371

CC(C)C[C@H](NC(CCN1C(=O)c2cccc3cccc(c23)C1=O)P(=O)(OCc1ccccc1)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	ERAP1	Q9NZ08	10/20	0.53

▸	ERAP2	Q6P179	8/20	0.53

▸	IL1RN	P18510	6/20	0.53

▸	LNPEP	Q9UIQ6	2/20	0.48

▸	ANPEP	P15144	2/20	0.47

▸	MMP2	P08253	1/20	0.47

▸	MMP7	P09237	1/20	0.47

▸	MMP9	P14780	1/20	0.47

▸	MMP8	P22894	1/20	0.47

▸	MMP14	P50281	1/20	0.47

▸	TACR1	P25103	2/20	0.46

▸	NMBR	P28336	1/20	0.46

▸	ECE1	P42892	1/20	0.45

▸	PYGB	P11216	1/20	0.44

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
SCHEMBL7356800	0.95	ERAP1 (0.53)	ERAP1ERAP2IL1RNLNPEPANPEP
SCHEMBL7356513	0.90	ERAP1 (0.50)	ERAP1ERAP2IL1RNLNPEPANPEP
SCHEMBL7356722	0.88	ECE1 (0.49)	ERAP1ERAP2IL1RNANPEPECE1
SCHEMBL7357029	0.86	ERAP1 (0.49)	ERAP1ERAP2IL1RNLNPEPANPEP
SCHEMBL7387789	0.86	MMP1 (0.41)	ERAP1ERAP2IL1RNMMP2MMP9
SCHEMBL7315344	0.85	ERAP1 (0.58)	ERAP1ERAP2IL1RNLNPEPANPEP
SCHEMBL7357450	0.85	ECE1 (0.51)	ERAP1ERAP2IL1RNANPEPMMP9
SCHEMBL7310121	0.85	ERAP1 (0.63)	ERAP1ERAP2IL1RNLNPEPANPEP
SCHEMBL7363513	0.85	MMP1 (0.51)	MMP2MMP9
SCHEMBL6413979	0.83	MMP1 (0.50)	MMP2MMP7MMP9MMP8MMP14

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
WO-1995013817-A1	ENDOTHELIN CONVERTING ENZYME INHIBITORS	SMITHKLINE BEECHAM CORPORATION (US)	1995-05-26	—	—	WO	disclosed