SCHEMBL8942034

SCHEMBL8942034

CCCCCCc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)CO4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.33
RARB P10826 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX5 P09917 1/20 0.32
MAPT P10636 1/20 0.32
TYR P14679 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
THRA P10827 1/20 0.30
THRB P10828 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
SCHEMBL8941984 1.00 FASN (0.33) FASNRARBMEN1TP53CYP3A4
SCHEMBL8942044 1.00 FASN (0.33) FASNRARBMEN1TP53CYP3A4
SCHEMBL8941997 1.00 FASN (0.33) FASNRARBMEN1TP53CYP3A4
SCHEMBL8942047 1.00 FASN (0.33) FASNRARBMEN1TP53CYP3A4
SCHEMBL8941917 0.99 FASN (0.33) FASNRARB
SCHEMBL8942471 0.96 RARB (0.32) RARBMEN1TP53CYP3A4ALOX5
SCHEMBL8942674 0.96 RARB (0.32) RARBMEN1TP53CYP3A4ALOX5
SCHEMBL8942273 0.96 RARB (0.32) RARBMEN1TP53CYP3A4ALOX5
SCHEMBL8942282 0.96 RARB (0.32) RARBMEN1TP53CYP3A4ALOX5
SCHEMBL8942582 0.96 RARB (0.32) RARBMEN1TP53CYP3A4ALOX5

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