SCHEMBL6938586

SCHEMBL6938586

CCCc1c(OCCCSc2ccc(C(C)C(=O)O)cc2Cl)ccc(C(=O)C(C)C)c1O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.62
PPARD Q03181 9/20 0.62
PPARA Q07869 9/20 0.62
CYSLTR2 Q9NS75 2/20 0.51
CYSLTR1 Q9Y271 2/20 0.51
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 1/20 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
SCHEMBL6937885 0.92 PPARG (0.73) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL6936685 0.91 PPARG (0.64) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL6936040 0.91 PPARG (0.63) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL6938282 0.90 PPARG (0.69) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL6938970 0.90 PPARG (0.75) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL6938100 0.88 PPARG (0.69) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL6933140 0.86 PPARG (0.59) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL6937189 0.86 PPARG (0.84) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL6936461 0.84 PPARG (0.59) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL6936707 0.83 PPARG (0.50) PPARGPPARDPPARACYSLTR2CYSLTR1

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-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP claimed