SCHEMBL8936745

SCHEMBL8936745

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

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.31
PPARD Q03181 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
CCNT1 O60563 1/20 0.30
CDK9 P50750 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
SCHEMBL8936819 0.99 RARB (0.33) RARBPPARDALOX5APFEN1THRA
SCHEMBL8936814 0.99 RARB (0.33) RARBPPARDALOX5APFEN1THRA
SCHEMBL8936787 0.99 RARB (0.33) RARBPPARDALOX5APFEN1THRA
SCHEMBL8936866 0.99 RARB (0.33) RARBPPARDALOX5APFEN1THRA
SCHEMBL8936825 0.97 CCNT1 (0.32) RARBPPARDALOX5APFEN1CCNT1
SCHEMBL8936786 0.94 GABRA1 (0.32) ALOX5APFEN1CCNT1CDK9
SCHEMBL8938055 0.94 S1PR1 (0.32) RARB
SCHEMBL8938069 0.93 PTPN11 (0.33) RARBTHRATHRB
SCHEMBL8938066 0.93 PTPN11 (0.33) RARBTHRATHRB
SCHEMBL8938068 0.93 PTPN11 (0.33) RARBTHRATHRB

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