SCHEMBL7732787

SCHEMBL7732787

CCCCc1cc(F)c(C(F)(F)Oc2ccc(-c3cc(F)c(OC(F)(F)F)c(F)c3)cc2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.35
RARB P10826 3/20 0.34
RARA P10276 2/20 0.34
RARG P13631 1/20 0.34
PRMT6 Q96LA8 1/20 0.33
FFAR1 O14842 1/20 0.33
SCN9A Q15858 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
APLNR P35414 2/20 0.32
PPARD Q03181 2/20 0.32
PPARA Q07869 1/20 0.32
CHRNA7 P36544 1/20 0.31
CNR1 P21554 2/20 0.31
AURKA O14965 1/20 0.31
TPX2 Q9ULW0 1/20 0.31
CNR2 P34972 1/20 0.31
PTGER4 P35408 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
SCHEMBL7730618 0.97 RARB (0.39) FFAR4RARBRARARARGPRMT6
SCHEMBL7728916 0.93 FFAR4 (0.36) FFAR4RARBRARAPRMT6FFAR1
SCHEMBL12624827 0.92 RARB (0.44) RARBRARARARGPPARA
SCHEMBL7722843 0.91 DAO (0.36) FFAR4HDAC3HDAC1HDAC2PPARD
SCHEMBL7730036 0.90 RARB (0.37) FFAR4RARBRARARARGPRMT6
SCHEMBL7733314 0.89 RARB (0.36) RARBRARARARGPRMT6PPARD
SCHEMBL12624833 0.88 RARB (0.41) RARBRARARARGPPARA
SCHEMBL7730665 0.88 PRMT6 (0.38) FFAR4PRMT6FFAR1PPARDPPARA
SCHEMBL7733186 0.88 PTGS2 (0.33) APLNR
SCHEMBL7735184 0.88 RARB (0.33) RARBRARARARG

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