SCHEMBL13614731

SCHEMBL13614731

FCOc1c(F)cc(-c2ccccc2F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.40
PTPN1 P18031 1/20 0.40
FFAR4 Q5NUL3 3/20 0.39
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
FFAR1 O14842 3/20 0.37
SCN8A Q9UQD0 1/20 0.37
ERN1 O75460 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LTB4R Q15722 1/20 0.36
MAP4K4 O95819 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
NPC1 O15118 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL18310450 0.75 PDE3B (0.36) FFAR4ALOX5APFEN1FFAR1MAPT
SCHEMBL28116695 0.75 PTPRC (0.54) PTPRCPTPN1ALOX5APFEN1ERN1
SCHEMBL13615286 0.75 PTPRC (0.43) PTPRCPTPN1ALOX5APFEN1ERN1
SCHEMBL13439493 0.74 FFAR1 (0.41) PTPRCPTPN1FFAR4ALOX5APFEN1
SCHEMBL30665737 0.73 PTPRC (0.48) PTPRCPTPN1ALOX5APFEN1ERN1
SCHEMBL13439489 0.73 PTPRC (0.48) PTPRCPTPN1ALOX5APFEN1ERN1
SCHEMBL18310375 0.73 CNR1 (0.37) FFAR4NPC1
SCHEMBL18310410 0.73 CYP17A1 (0.34) FFAR4ALOX5APFEN1
SCHEMBL18310536 0.72 PDE3B (0.37) FFAR4ALOX5APFEN1FFAR1MAPT
SCHEMBL13614897 0.71 PTPRC (0.47) PTPRCPTPN1ALOX5APFEN1ERN1

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-2116522-A1 PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CF<SB>2</SB>O BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY Chisso Corporation (JP) 2009-11-11 EP disclosed