SCHEMBL8936814

SCHEMBL8936814

C/C=C/C1CC=C(c2ccc(-c3ccc(-c4ccc(OCCCCCCCCC)c(F)c4F)cc3)c(F)c2)CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
PPARD Q03181 1/20 0.31
PTPN11 Q06124 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL8936787 1.00 RARB (0.33) RARBTHRATHRBS1PR4S1PR1
SCHEMBL8936866 1.00 RARB (0.33) RARBTHRATHRBS1PR4S1PR1
SCHEMBL8936819 1.00 RARB (0.33) RARBTHRATHRBS1PR4S1PR1
SCHEMBL8936745 0.99 RARB (0.31) RARBTHRATHRBPPARDALOX5AP
SCHEMBL8936825 0.96 CCNT1 (0.32) RARBS1PR1S1PR3PPARDALOX5AP
SCHEMBL8938066 0.94 PTPN11 (0.33) RARBTHRATHRBS1PR4S1PR1
SCHEMBL8938069 0.94 PTPN11 (0.33) RARBTHRATHRBS1PR4S1PR1
SCHEMBL8938068 0.94 PTPN11 (0.33) RARBTHRATHRBS1PR4S1PR1
SCHEMBL8938061 0.94 PTPN11 (0.33) RARBTHRATHRBS1PR4S1PR1
SCHEMBL8936786 0.94 GABRA1 (0.32) ALOX5APFEN1

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
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed