SCHEMBL7046443

SCHEMBL7046443

CCCc1c(OCCCSc2ccc(C(C)C(=O)O)cc2Cl)ccc2c(OC)noc12

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.60
PPARG P37231 17/20 0.60
PPARA Q07869 17/20 0.60
NR1H2 P55055 4/20 0.58
NR1H3 Q13133 4/20 0.58

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
SCHEMBL7046234 0.91 PPARD (0.62) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL7044850 0.91 PPARA (0.69) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL7039142 0.90 PPARA (0.75) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL8003777 0.88 PPARG (0.76) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL7041413 0.86 PPARD (0.81) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL7037984 0.83 PPARA (0.59) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL7041349 0.83 PPARD (0.70) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6559207 0.82 PPARG (0.58) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6559245 0.81 PPARA (0.75) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL7041575 0.80 PPARG (0.72) PPARDPPARGPPARANR1H2NR1H3

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-0882029-B1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO INC (US) 2003-04-02 EP claimed