SCHEMBL7735261

SCHEMBL7735261

CCCc1ccc(C(F)(F)Oc2ccc(C(F)(F)Oc3cc(F)c(C(F)(F)F)c(F)c3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.36
THRB P10828 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
PSMB5 P28074 1/20 0.33
PPARA Q07869 4/20 0.33
PPARD Q03181 2/20 0.33
GPR84 Q9NQS5 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 3/20 0.32
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
DAO P14920 1/20 0.31

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
SCHEMBL7732825 0.97 TAAR1 (0.37) MAOBTHRBTAAR1SENP8SENP7
SCHEMBL7732213 0.93 DAO (0.36) MAOBTHRBTAAR1SENP8SENP7
SCHEMBL7730397 0.92 DAO (0.33) PPARAPPARDPPARGDAO
SCHEMBL7730657 0.92 PSEN1 (0.37) MAOBTHRBTAAR1PPARAPPARD
SCHEMBL7731652 0.92 MAOB (0.39) MAOBTHRBTAAR1PPARAPPARD
SCHEMBL7722573 0.91 THRB (0.39) THRBPPARAPPARDMEN1KMT2A
SCHEMBL7722652 0.90 FFAR1 (0.32) DAO
SCHEMBL13636656 0.90 MAOB (0.32) MAOBTHRBTAAR1
SCHEMBL7729444 0.89 PSEN1 (0.36) MAOBTHRBTAAR1PPARGPTGES
SCHEMBL7730683 0.89 TSHR (0.35) MAOBPPARAPPARDGPR84PPARG

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