SCHEMBL7735591

SCHEMBL7735591

CCCCCc1ccc(C(F)(F)Oc2ccc(CCc3ccc(C(F)(F)F)c(F)c3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.39
S1PR1 P21453 2/20 0.36
FFAR1 O14842 1/20 0.36
HTR2A P28223 1/20 0.36
HSD11B1 P28845 1/20 0.36
PLK1 P53350 2/20 0.36
FAAH O00519 1/20 0.36
PLK3 Q9H4B4 1/20 0.35
THRB P10828 1/20 0.35
RARB P10826 2/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
RARA P10276 1/20 0.35
RARG P13631 1/20 0.35
KIF11 P52732 1/20 0.35

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
SCHEMBL7730438 0.96 DAO (0.40) DAOS1PR1FFAR1PPARGPPARA
SCHEMBL7732585 0.94 HTR2A (0.37) FFAR1HTR2AHSD11B1PLK1FAAH
SCHEMBL7730566 0.93 HTR2A (0.38) FFAR1HTR2AHSD11B1PLK1FAAH
SCHEMBL7722922 0.91 DAO (0.41) DAOFFAR1PPARAKIF11
SCHEMBL7735381 0.91 KIF11 (0.47) HSD11B1RARBRARARARGKIF11
SCHEMBL7735307 0.90 PSEN1 (0.36) DAOS1PR1FFAR1HSD11B1PLK1
SCHEMBL7731827 0.89 DAO (0.41) DAOFFAR1PPARAKIF11
SCHEMBL7732149 0.89 PSEN1 (0.37) DAOS1PR1FFAR1HSD11B1PLK1
SCHEMBL7722564 0.87 KIF11 (0.48) HSD11B1RARBRARARARGKIF11
SCHEMBL7730440 0.87 THRB (0.39) DAOS1PR1HTR2APLK1FAAH

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