SCHEMBL6661857

SCHEMBL6661857

CCCCCc1ccc(C(F)(F)OC(C)c2ccc(OC(F)F)c(F)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.34
TRPV1 Q8NER1 4/20 0.33
HTR2A P28223 2/20 0.33
FAAH O00519 1/20 0.33
CACNA1H O95180 2/20 0.33
RARB P10826 2/20 0.32
RARA P10276 1/20 0.32
RARG P13631 1/20 0.32
PLK1 P53350 1/20 0.31
CASR P41180 1/20 0.31
PDE4A P27815 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
SCHEMBL6662000 0.92 PDE2A (0.35) PDE2ACACNA1HCASRPDE4A
SCHEMBL6660713 0.88 PDE2A (0.41) PDE2ATRPV1HTR2AFAAHCACNA1H
SCHEMBL6661305 0.88 PDE4A (0.38) PDE2ACACNA1HCASRPDE4A
SCHEMBL6662209 0.87 HTR2A (0.34) TRPV1HTR2AFAAHRARBRARA
SCHEMBL6663948 0.87 HTR2A (0.37) TRPV1HTR2AFAAHRARBRARA
SCHEMBL6662865 0.84 HTR2A (0.39) TRPV1HTR2AFAAHRARBRARA
SCHEMBL6666303 0.84 TRPV1 (0.36) TRPV1HTR2AFAAHRARBRARA
SCHEMBL6660727 0.83 PPARA (0.39) HTR2AFAAH
SCHEMBL6662955 0.83 HTR2A (0.42) TRPV1HTR2AFAAH
SCHEMBL7730786 0.82 HTR2A (0.35) HTR2AFAAHCACNA1HRARBRARA

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-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed