SCHEMBL6661852

SCHEMBL6661852

CCCCCc1ccc(C(F)(F)OCCc2ccc(OC(F)F)c(F)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.35
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
S1PR1 P21453 3/20 0.34
S1PR3 Q99500 1/20 0.34
HTR2A P28223 1/20 0.34
FAAH O00519 1/20 0.34
RARB P10826 2/20 0.33
RARA P10276 1/20 0.33
RARG P13631 1/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
APAF1 O14727 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6661998 0.92 CACNA1H (0.36) CACNA1HGLASMN1; SMN2S1PR1S1PR3
SCHEMBL6661295 0.89 CACNA1H (0.37) CACNA1H
SCHEMBL6662207 0.88 HTR2A (0.35) S1PR1HTR2AFAAHRARBRARA
SCHEMBL6660708 0.86 GLA (0.36) CACNA1HGLASMN1; SMN2S1PR1S1PR3
SCHEMBL7733331 0.86 S1PR1 (0.38) CACNA1HS1PR1S1PR3HTR2AFAAH
SCHEMBL6663942 0.85 HTR2A (0.40) S1PR1HTR2AFAAHRARBRARA
SCHEMBL6664085 0.84 SPHK1 (0.34) CACNA1HMAPT
SCHEMBL7730786 0.84 HTR2A (0.35) CACNA1HS1PR1S1PR3HTR2AFAAH
SCHEMBL6660722 0.83 PPARA (0.41) SMN1; SMN2HTR2AFAAHPTGESALOX5
SCHEMBL7732575 0.83 S1PR1 (0.35) CACNA1HS1PR1S1PR3HTR2AFAAH

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