SCHEMBL6933376

SCHEMBL6933376

CCCc1c(OCCCSc2ccc(CC(=O)OC)cc2Cl)cccc1C(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.57
PPARA Q07869 12/20 0.57
PPARD Q03181 11/20 0.57
NR1H2 P55055 2/20 0.49
NR1H3 Q13133 2/20 0.49
LTB4R Q15722 6/20 0.39
LTB4R2 Q9NPC1 6/20 0.39

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
SCHEMBL6936235 0.92 PPARD (0.67) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6931534 0.87 PPARD (0.64) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6937863 0.84 PPARD (0.55) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6937867 0.84 PPARG (0.54) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6933719 0.82 PPARG (0.81) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6933762 0.81 PPARG (0.69) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6937386 0.80 PPARG (0.84) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6934160 0.79 PPARG (0.74) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6936613 0.79 PPARG (0.70) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6933139 0.79 PPARG (0.66) PPARGPPARAPPARDNR1H2NR1H3

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