SCHEMBL6934196

SCHEMBL6934196

CCCc1c(OCCCCSc2ccc(CC(=O)O)cc2Cl)ccc(C(C)=O)c1O

nearest known ligand 0.95

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.95
PPARD Q03181 9/20 0.95
PPARA Q07869 9/20 0.95
NR1H2 P55055 1/20 0.58
NR1H3 Q13133 1/20 0.58
CYSLTR2 Q9NS75 10/20 0.55
CYSLTR1 Q9Y271 10/20 0.55
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
NFKB1 P19838 1/20 0.52
BLM P54132 1/20 0.52
GRM2 Q14416 1/20 0.52

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
SCHEMBL10892351 0.97 PPARG (1.00) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6933382 0.91 PPARG (0.79) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6933330 0.89 PPARG (1.00) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6936760 0.89 PPARG (0.88) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6937189 0.89 PPARG (0.84) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6934143 0.88 PPARG (0.74) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL6937493 0.88 PPARG (0.87) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6933719 0.87 PPARG (0.81) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL10894371 0.86 PPARG (0.80) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6862000 0.86 PPARG (1.00) PPARGPPARDPPARANR1H2NR1H3

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-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP claimed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP claimed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP claimed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO claimed
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP disclosed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP disclosed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP disclosed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed