SCHEMBL6661295

SCHEMBL6661295

CCc1ccc(C(F)(F)OCCc2ccc(OC(F)F)c(F)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 4/20 0.37
EDNRB P24530 3/20 0.36
EDNRA P25101 3/20 0.36
PDE4A P27815 5/20 0.34
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
MLYCD O95822 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
SCHEMBL6661998 0.92 CACNA1H (0.36) CACNA1HPPARDPPARA
SCHEMBL6661852 0.89 CACNA1H (0.35) CACNA1H
SCHEMBL6661336 0.86 FFAR4 (0.34) EDNRBEDNRA
SCHEMBL6666318 0.85 CACNA1H (0.36) CACNA1HEDNRBEDNRA
SCHEMBL7731641 0.83 CACNA1H (0.36) CACNA1HPDE4APPARDPPARA
SCHEMBL6664131 0.83 KIF11 (0.33) EDNRBEDNRA
SCHEMBL6666020 0.82 ALDH1A1 (0.36) CACNA1H
SCHEMBL7729248 0.81 FFAR1 (0.37) CACNA1HPDE4AMLYCD
SCHEMBL6662924 0.81 EDNRB (0.40) EDNRBEDNRAPPARA
SCHEMBL6662997 0.80 KIF11 (0.33) EDNRBEDNRA

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