SCHEMBL7731928

SCHEMBL7731928

CCCCc1ccc(C(F)(F)Oc2ccc(-c3cc(F)c(OC(F)(F)F)c(F)c3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.39
RARA P10276 2/20 0.39
RARG P13631 1/20 0.39
MAOB P27338 3/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
PPARG P37231 3/20 0.34
PPARA Q07869 2/20 0.34
ALOX5 P09917 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
S1PR1 P21453 1/20 0.33
SERPINE1 P05121 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
PSEN1 P49768 1/20 0.33
CNR1 P21554 1/20 0.33
LTB4R2 Q9NPC1 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
SCHEMBL7733508 0.97 RARB (0.44) RARBRARARARGPPARGPPARA
SCHEMBL7730636 0.93 MAOB (0.35) RARBRARARARGMAOBPPARG
SCHEMBL7735461 0.92 HDAC3 (0.36) HDAC3HDAC1HDAC2PPARGPPARA
SCHEMBL12624839 0.91 RARB (0.44) RARBRARARARGPPARGPPARA
SCHEMBL7722732 0.91 DAO (0.36) HDAC3HDAC1HDAC2PPARGPPARA
SCHEMBL7731930 0.89 S1PR1 (0.34) RARBRARARARGHDAC3HDAC1
SCHEMBL12623053 0.88 RARB (0.42) RARBRARARARGS1PR1SERPINE1
SCHEMBL7734772 0.88 HTR2A (0.37) RARBRARARARGHDAC3HDAC1
SCHEMBL7730677 0.88 RARB (0.41) RARBRARARARGMAOBPPARG
SCHEMBL7722612 0.88 PRMT6 (0.38) PPARGPPARAPRMT6SERPINE1FFAR4

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 2 patents. 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
EP-0786445-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP disclosed