SCHEMBL7414833

SCHEMBL7414833

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.51
PPARA Q07869 11/20 0.51
EDNRB P24530 1/20 0.47
EDNRA P25101 1/20 0.47
F9 P00740 1/20 0.43
F10 P00742 1/20 0.43
PLAU P00749 1/20 0.43
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL7408292 0.90 PPARG (0.50) PPARGPPARAEDNRBEDNRAF9
SCHEMBL7410289 0.90 PPARG (0.50) PPARGPPARAEDNRBEDNRAF9
SCHEMBL9058136 0.89 EDNRB (0.56) PPARGPPARAEDNRBEDNRA
SCHEMBL9165031 0.89 PPARG (0.41) PPARGPPARAEDNRBEDNRAF9
SCHEMBL9128470 0.88 PPARG (0.47) PPARGPPARAEDNRBEDNRAHPGD
SCHEMBL9129934 0.83 KMT2A (0.49) F9F10PLAUHPGDKDM4E
SCHEMBL9129724 0.82 PPARG (0.44) PPARGPPARAEDNRBEDNRAHPGD
SCHEMBL7332942 0.82 EDNRA (0.52) EDNRBEDNRAMEN1KMT2A
SCHEMBL9168065 0.81 PPARG (0.40) PPARGPPARAEDNRBEDNRA
SCHEMBL9051202 0.79 EDNRB (0.55) PPARGPPARAEDNRBEDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-1991011909-A1 TRIAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 WO disclosed