SCHEMBL11411181

COC(=O)CC(C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CTSL	P07711	6/20	0.39

▸	ACE	P12821	1/20	0.39

▸	TGM2	P21980	1/20	0.36

▸	ITGB3	P05106	1/20	0.36

▸	ITGA2B	P08514	1/20	0.36

▸	CA2	P00918	1/20	0.35

▸	ALDH1A1	P00352	1/20	0.35

▸	MAPK1	P28482	1/20	0.35

▸	L3MBTL1	Q9Y468	1/20	0.35

▸	HDAC1	Q13547	1/20	0.34

▸	HDAC2	Q92769	1/20	0.34

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
SCHEMBL11411177	1.00	CTSL (0.39)	CTSLACETGM2ITGB3ITGA2B
SCHEMBL11437514	0.90	CTSL (0.40)	CTSLACEALDH1A1MAPK1L3MBTL1
SCHEMBL11416816	0.82	RAB9A (0.43)	L3MBTL1
SCHEMBL11419451	0.80	ACE (0.37)	ACEALDH1A1
SCHEMBL11437517	0.74	REN (0.41)	ALDH1A1MAPK1L3MBTL1
SCHEMBL8957278	0.72	ACE (0.40)	CTSLACECA2ALDH1A1
SCHEMBL11419859	0.71	ACE (0.39)	ACE
SCHEMBL749822	0.71	CTRB1 (0.37)	ACE
SCHEMBL3916119	0.71	CTRB1 (0.37)	ACE
SCHEMBL17293240	0.71	CTRB1 (0.37)	ACE

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
US-4192882-A	SUBSTITUTED INDOLES FOR RELIEVING ANGIOTENSIN RELATED HYPERTENSION	E. R. SQUIBB & SONS, INC. (US)	1980-03-11	—	—	US	disclosed