SCHEMBL7729751

SCHEMBL7729751

CCCc1ccc(C(F)(F)Oc2ccc(CCc3ccc(OC(F)F)cc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.40
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
HTT P42858 1/20 0.36
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
CETP P11597 1/20 0.35
BACE1 P56817 1/20 0.34
PSMB5 P28074 1/20 0.34
THRB P10828 1/20 0.34
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
PLA2G4A P47712 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL7732775 0.99 PPARG (0.40) DAOPPARGPPARAHTTKMT2A
SCHEMBL7731001 0.99 PPARG (0.40) DAOPPARGPPARAHTTKMT2A
SCHEMBL7732522 0.92 DAO (0.39) DAOPPARGPPARAKMT2ALMNA
SCHEMBL7730388 0.91 DAO (0.40) DAOPPARGPPARAHTTKMT2A
SCHEMBL7734866 0.91 PPARA (0.42) DAOPPARAKMT2ALMNABACE1
SCHEMBL7733320 0.90 PPARA (0.38) DAOPPARAKMT2ALMNAPOLB
SCHEMBL7730399 0.90 PPARA (0.38) DAOPPARAKMT2ALMNAPOLB
SCHEMBL7722558 0.89 PPARA (0.43) DAOPPARAKMT2ALMNABACE1
SCHEMBL7735198 0.89 PPARA (0.43) DAOPPARAKMT2ALMNABACE1
SCHEMBL7735368 0.88 THRB (0.41) PPARAKMT2APSMB5THRBMEN1

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-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed