SCHEMBL7042800

SCHEMBL7042800

CCCc1cc(C(C)C(=O)O)ccc1SCCCOc1ccc2c(C(F)(F)F)noc2c1CCC

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.65
PPARA Q07869 13/20 0.65
NR1H2 P55055 12/20 0.65
NR1H3 Q13133 12/20 0.65
PPARD Q03181 12/20 0.65

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
SCHEMBL8003777 0.92 PPARG (0.76) PPARGPPARANR1H2NR1H3PPARD
SCHEMBL7044450 0.86 NR1H3 (0.84) PPARGPPARANR1H2NR1H3PPARD
SCHEMBL7042314 0.83 NR1H3 (0.72) PPARGPPARANR1H2NR1H3PPARD
SCHEMBL7046234 0.80 PPARD (0.62) PPARGPPARANR1H2NR1H3PPARD
SCHEMBL7044850 0.80 PPARA (0.69) PPARGPPARANR1H2NR1H3PPARD
SCHEMBL7039142 0.80 PPARA (0.75) PPARGPPARANR1H2NR1H3PPARD
SCHEMBL5338721 0.79 PPARA (0.79) PPARGPPARANR1H2NR1H3PPARD
SCHEMBL7046443 0.79 PPARD (0.60) PPARGPPARANR1H2NR1H3PPARD
SCHEMBL29816268 0.79 PPARD (1.00) PPARGPPARANR1H2NR1H3PPARD
SCHEMBL2898933 0.79 PPARD (1.00) PPARGPPARANR1H2NR1H3PPARD

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