SCHEMBL7730619

SCHEMBL7730619

CCCCCc1ccc(C(F)(F)Oc2ccc(OC(F)(F)F)c(F)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.38
HTR2A P28223 1/20 0.37
FAAH O00519 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
THRB P10828 2/20 0.36
RARB P10826 2/20 0.36
PSEN1 P49768 1/20 0.36
RARA P10276 1/20 0.36
RARG P13631 1/20 0.36
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
PPARG P37231 1/20 0.35
THRA P10827 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL7735441 0.99 SLC7A5 (0.38) SLC7A5HTR2AFAAHS1PR1S1PR3
SCHEMBL7729314 0.96 SLC7A5 (0.39) SLC7A5FAAHS1PR1S1PR3PSEN1
SCHEMBL7733382 0.95 SLC7A5 (0.38) SLC7A5FAAHS1PR1S1PR3PSEN1
SCHEMBL7734833 0.93 S1PR1 (0.39) SLC7A5HTR2AFAAHS1PR1S1PR3
SCHEMBL12623037 0.92 RARB (0.43) SLC7A5S1PR1S1PR3RARBRARA
SCHEMBL7732530 0.91 SLC7A5 (0.38) SLC7A5PTGESALOX5PPARGPDE2A
SCHEMBL7731908 0.91 RARB (0.46) S1PR1S1PR3RARBRARARARG
SCHEMBL7722839 0.90 SLC7A5 (0.37) SLC7A5PDE2A
SCHEMBL12625570 0.90 RARB (0.43) S1PR1S1PR3RARBRARARARG
SCHEMBL12625571 0.90 RARB (0.43) S1PR1S1PR3RARBRARARARG

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 3 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
US-5858270-A Difluorooxymethane derivative and liquid crystal composition CHISSO CORPORATION (JP) 1999-01-12 US disclosed
EP-0786445-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP disclosed