SCHEMBL7730380

SCHEMBL7730380

CCCCCc1ccc(C(F)(F)Oc2ccc(C(F)(F)Oc3cc(F)c(F)c(F)c3)cc2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.35
PPARG P37231 4/20 0.33
PPARA Q07869 4/20 0.33
FAAH O00519 1/20 0.32
HTR2A P28223 1/20 0.32
RARB P10826 2/20 0.32
RARA P10276 1/20 0.32
RARG P13631 1/20 0.32
THRB P10828 1/20 0.32
S1PR3 Q99500 1/20 0.31
PLK1 P53350 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
SCHEMBL7731530 0.97 S1PR1 (0.33) S1PR1PPARGPPARAS1PR3
SCHEMBL14226747 0.96 S1PR1 (0.34) S1PR1PPARGPPARAFAAHHTR2A
SCHEMBL7722735 0.93 S1PR1 (0.36) S1PR1PPARGPPARAFAAHHTR2A
SCHEMBL7733451 0.92 FFAR1 (0.31)
SCHEMBL14226659 0.91 RARB (0.43) S1PR1RARBRARARARG
SCHEMBL7730810 0.91 S1PR1 (0.34) S1PR1PPARGPPARAFAAHHTR2A
SCHEMBL7729708 0.91 HTR2A (0.40) PPARGPPARAFAAHHTR2ARARB
SCHEMBL7730532 0.90 S1PR1 (0.34) S1PR1PPARGPPARAHTR2A
SCHEMBL7729099 0.90 HTR2A (0.37) S1PR1PPARGPPARAFAAHHTR2A
SCHEMBL7722692 0.89 SKP2 (0.35) S1PR1PPARGPPARAFAAHHTR2A

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