SCHEMBL6933762

SCHEMBL6933762

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

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.69
PPARD Q03181 10/20 0.69
PPARA Q07869 10/20 0.69
NR1H2 P55055 2/20 0.50
NR1H3 Q13133 2/20 0.50
LTB4R Q15722 7/20 0.38
LTB4R2 Q9NPC1 3/20 0.37
PDE11A Q9HCR9 1/20 0.37
PDE4D Q08499 2/20 0.36

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
SCHEMBL6933139 0.93 PPARG (0.66) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6937075 0.92 PPARD (0.81) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6937386 0.91 PPARG (0.84) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6934160 0.85 PPARG (0.74) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6937919 0.84 PPARD (0.69) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6939266 0.84 PPARD (0.79) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6935505 0.84 PPARG (0.73) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6937010 0.83 PPARG (0.68) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6936613 0.83 PPARG (0.70) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6932940 0.83 PPARD (0.82) 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 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