SCHEMBL6557952

SCHEMBL6557952

COC(=O)c1ccc(C(CO)NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 19/20 0.61
ALDH1A1 P00352 9/20 0.59
TSHR P16473 8/20 0.58
MAPT P10636 3/20 0.58
MAPK1 P28482 1/20 0.54
TP53 P04637 2/20 0.52
LMNA P02545 2/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.51

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL19692701 0.89 CYP3A4 (0.58) CYP3A4ALDH1A1TSHRMAPTMAPK1
SCHEMBL4998172 0.87 CTRB1 (0.55) CYP3A4ALDH1A1TSHRLMNA
SCHEMBL4665558 0.87 CTRB1 (0.55) CYP3A4ALDH1A1TSHRLMNA
SCHEMBL7134978 0.87 CTRB1 (0.55) CYP3A4ALDH1A1TSHRLMNA
SCHEMBL1554807 0.86 ATM (0.64) CYP3A4ALDH1A1TSHRTP53
SCHEMBL12195401 0.86 CTSK (0.49) MAPTLMNA
SCHEMBL12195405 0.85 KLK1 (0.58) ALDH1A1TP53LMNA
SCHEMBL21399728 0.85 CYP3A4 (0.64) CYP3A4ALDH1A1TSHRMAPTMAPK1
SCHEMBL16553624 0.83 CTRB1 (0.49) ALDH1A1TP53LMNA
SCHEMBL29944675 0.83 TP53 (0.60) ALDH1A1MAPTTP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1391454-A1 Substituted benzamide compounds with antihypertensive activity Mitsubishi Pharma Corporation (JP) 2004-02-25 EP disclosed
EP-1195372-A1 N-heterocyclic substituted benzamide derivatives with antihypertensive activity Mitsubishi Pharma Corporation (JP) 2002-04-10 EP disclosed
US-6156766-A Benzamide compounds and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-12-05 US disclosed
US-5958944-A TREATMENT OF CIRCULATORY DISEASES IN CORONARY, CEREBRAL, RENAL AND PERIPHERAL ARTERIES, AS A THERAPEUTIC AGENT FOR HYPERTENSION, ANGINA PECTORIS, AND RENAL AND PERIPHERAL CIRCULATION DISORDER, ANTIASTHMATIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-28 US disclosed
EP-0757038-A1 BENZAMIDE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-02-05 EP disclosed