SCHEMBL6938600

SCHEMBL6938600

C=CCc1c(OCCCSc2ccc(CC(=O)OC)cc2Cl)ccc(C(CC)=NO)c1O

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.70
PPARA Q07869 10/20 0.70
PPARD Q03181 9/20 0.70
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
ALDH1A1 P00352 4/20 0.34
PDE11A Q9HCR9 1/20 0.32
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPT P10636 1/20 0.31
GAA P10253 1/20 0.31
GFER P55789 1/20 0.31

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
SCHEMBL6938595 1.00 PPARG (0.70) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6933774 0.92 PPARD (0.82) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6933777 0.92 PPARD (0.82) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6936719 0.91 PPARG (0.85) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6935493 0.91 PPARG (0.85) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6937851 0.90 PPARA (0.68) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6937554 0.88 PPARG (0.68) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6937558 0.88 PPARG (0.68) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6936015 0.85 PPARG (0.76) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6935503 0.84 PPARG (0.75) 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 5 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