SCHEMBL6559207

SCHEMBL6559207

CCCc1c(OCCCSc2ccc(C(C)C(=O)O)cc2Cl)ccc2c(CC)cc(=O)oc12

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.58
PPARD Q03181 8/20 0.58
PPARA Q07869 8/20 0.58
NR1H2 P55055 3/20 0.49
NR1H3 Q13133 2/20 0.49
PDE5A O76074 4/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
CYSLTR2 Q9NS75 2/20 0.39
CYSLTR1 Q9Y271 2/20 0.39
MEN1 O00255 1/20 0.39
TBXAS1 P24557 1/20 0.39
KMT2A Q03164 1/20 0.39
LTB4R Q15722 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL6559310 0.86 PPARG (0.53) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6558756 0.85 PPARD (0.79) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7039142 0.84 PPARA (0.75) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7046234 0.83 PPARD (0.62) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7044850 0.83 PPARA (0.69) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6559861 0.82 PPARD (0.67) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7046443 0.82 PPARD (0.60) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6559245 0.82 PPARA (0.75) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL8003777 0.81 PPARG (0.76) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6938586 0.80 PPARG (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904079-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2004-03-24 EP claimed