SCHEMBL7410289

SCHEMBL7410289

CCCc1cc(CBr)ccc1OC(C(=O)OC)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.50
PPARA Q07869 12/20 0.50
EDNRB P24530 1/20 0.47
EDNRA P25101 1/20 0.47
F9 P00740 1/20 0.41
F10 P00742 1/20 0.41
PLAU P00749 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL7414833 0.90 PPARG (0.51) PPARGPPARAEDNRBEDNRAF9
SCHEMBL9051202 0.90 EDNRB (0.55) PPARGPPARAEDNRBEDNRA
SCHEMBL7408292 0.89 PPARG (0.50) PPARGPPARAEDNRBEDNRAF9
SCHEMBL9168065 0.88 PPARG (0.40) PPARGPPARAEDNRBEDNRA
SCHEMBL9126741 0.88 PPARG (0.47) PPARGPPARAEDNRBEDNRAKDM4E
SCHEMBL9063509 0.84 F9 (0.41) PPARGPPARAF9F10PLAU
SCHEMBL9127613 0.83 KMT2A (0.48) F9F10PLAUKDM4EALDH1A1
SCHEMBL9051461 0.82 ALDH1A1 (0.47) PPARGPPARAF9F10PLAU
SCHEMBL9129724 0.81 PPARG (0.44) PPARGPPARAEDNRBEDNRAKDM4E
SCHEMBL9127311 0.81 F9 (0.42) PPARGPPARAF9F10PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0515535-A4 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO INC (US) 1996-01-17 EP disclosed
US-5264439-A Quinazolinone, triazolinone and pyrimidinone angiotensin II antagonists incorporating a substituted benzyl element MERCK & CO., INC. (US) 1993-11-23 US disclosed
EP-0515546-A4 TRIAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT 1993-05-12 EP disclosed
US-5177095-A Hypotensive agents MERCK & CO., INC. (US) 1993-01-05 US disclosed
EP-0515546-A1 TRIAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO. INC. (US) 1992-12-02 EP disclosed
EP-0515535-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO. INC. (US) 1992-12-02 EP disclosed
WO-1991012001-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 WO disclosed
WO-1991011909-A1 TRIAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 WO disclosed