SCHEMBL11087584

SCHEMBL11087584

O=C(O)C(CCCOCc1cccc(F)c1)Oc1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.55
PPARA Q07869 9/20 0.55
NR4A2 P43354 2/20 0.45
MAOB P27338 4/20 0.44
PARP10 Q53GL7 1/20 0.44
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
MAOA P21397 1/20 0.42
FOLH1 Q04609 1/20 0.41
CTRC Q99895 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
SCHEMBL10849403 0.87 PPARG (0.56) PPARGPPARAPTGESALOX5CTRC
SCHEMBL11019274 0.83 PPARG (0.55) PPARGPPARAPTGESALOX5CTRC
SCHEMBL11193572 0.82 PPARG (0.50) PPARGPPARANR4A2PTGESALOX5
SCHEMBL10851554 0.79 PPARG (0.53) PPARGPPARAMAOBPARP10CTRC
SCHEMBL10639771 0.78 PPARG (0.49) PPARGPPARAFOLH1CTRC
SCHEMBL9614318 0.77 PPARG (0.59) PPARGPPARAPTGESALOX5CTRC
SCHEMBL10712461 0.76 PPARG (0.48) PPARGPPARAPTGESALOX5FOLH1
SCHEMBL11188968 0.76 PPARG (0.52) PPARGPPARAMAOBPARP10FOLH1
SCHEMBL10855152 0.76 MAOB (0.46) PPARGPPARANR4A2MAOBPARP10
SCHEMBL28549454 0.73 CHRM3 (0.44) NR4A2MAOBPARP10

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
US-4441913-A PRE- AND POST-EMERGENCE NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1984-04-10 US disclosed