SCHEMBL6937075

SCHEMBL6937075

CCCc1c(OCCCSc2ccc(CC(=O)O)cc2Cl)ccc(C(=O)CC)c1OC

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.81
PPARG P37231 9/20 0.81
PPARA Q07869 9/20 0.81
NR1H2 P55055 3/20 0.58
NR1H3 Q13133 3/20 0.58
LTB4R Q15722 6/20 0.40
LTB4R2 Q9NPC1 3/20 0.40
PDE4D Q08499 1/20 0.39
CYSLTR2 Q9NS75 3/20 0.38
CYSLTR1 Q9Y271 3/20 0.38

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
SCHEMBL6933762 0.92 PPARG (0.69) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6939266 0.92 PPARD (0.79) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6932940 0.90 PPARD (0.82) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6933714 0.90 PPARD (0.82) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6937919 0.90 PPARD (0.69) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6933330 0.90 PPARG (1.00) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6933139 0.85 PPARG (0.66) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6936461 0.85 PPARG (0.59) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6936760 0.83 PPARG (0.88) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL10892351 0.83 PPARG (1.00) PPARDPPARGPPARANR1H2NR1H3

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