SCHEMBL9051202

SCHEMBL9051202

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

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.55
EDNRA P25101 1/20 0.55
PPARG P37231 15/20 0.54
PPARA Q07869 15/20 0.54

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
SCHEMBL7410289 0.90 PPARG (0.50) EDNRBEDNRAPPARGPPARA
SCHEMBL9058136 0.89 EDNRB (0.56) EDNRBEDNRAPPARGPPARA
SCHEMBL9126741 0.87 PPARG (0.47) EDNRBEDNRAPPARGPPARA
SCHEMBL9127085 0.80 EDNRB (0.51) EDNRBEDNRAPPARGPPARA
SCHEMBL7414833 0.79 PPARG (0.51) EDNRBEDNRAPPARGPPARA
SCHEMBL9168065 0.78 PPARG (0.40) EDNRBEDNRAPPARGPPARA
SCHEMBL7408292 0.78 PPARG (0.50) EDNRBEDNRAPPARGPPARA
SCHEMBL7445885 0.76 PPARG (0.71) PPARGPPARA
SCHEMBL9128470 0.76 PPARG (0.47) EDNRBEDNRAPPARGPPARA
SCHEMBL9447429 0.75 CHRM1 (0.52) PPARGPPARA

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 7 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-5420133-A Quinazolinones substituted with phenoxyphenylacetic acid derivatives MERCK & CO., INC. (US) 1995-05-30 US disclosed
US-5401745-A Cardiovascular disorders or hypotensive agents MERCK & CO., INC. (US) 1995-03-28 US disclosed
WO-1994021259-A1 QUINAZOLINONES SUBSTITUTED WITH PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1994-09-29 WO 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-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