SCHEMBL6937863

SCHEMBL6937863

CCCc1c(Cc2ccccc2O)cccc1OCCCSc1ccc(CC(=O)OC)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.55
PPARG P37231 8/20 0.55
PPARA Q07869 8/20 0.55
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
LTB4R Q15722 4/20 0.41
LTB4R2 Q9NPC1 4/20 0.41

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
SCHEMBL6933376 0.84 PPARG (0.57) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL7042280 0.81 PPARG (0.65) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6937867 0.81 PPARG (0.54) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6936613 0.80 PPARG (0.70) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6937386 0.79 PPARG (0.84) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6933762 0.78 PPARG (0.69) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6934160 0.78 PPARG (0.74) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6935493 0.78 PPARG (0.85) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6936719 0.78 PPARG (0.85) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6935505 0.78 PPARG (0.73) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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