SCHEMBL8949494

SCHEMBL8949494

C=CCCC1COC(c2ccc(-c3ccc(-c4ccc(CCCCCC)c(F)c4F)cc3)c(F)c2)OC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.34
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX5 P09917 1/20 0.30
MAPT P10636 1/20 0.30
TYR P14679 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL8949516 1.00 RARB (0.34) RARBMEN1TP53CYP3A4ALOX5
SCHEMBL8949513 1.00 RARB (0.34) RARBMEN1TP53CYP3A4ALOX5
SCHEMBL8949450 1.00 RARB (0.34) RARBMEN1TP53CYP3A4ALOX5
SCHEMBL8949453 1.00 RARB (0.34) RARBMEN1TP53CYP3A4ALOX5
SCHEMBL8949467 0.99 RARB (0.33) RARB
SCHEMBL8949498 0.96
SCHEMBL8949714 0.95 RARB (0.33) RARB
SCHEMBL8949428 0.93 CTSL (0.30)
SCHEMBL8949809 0.91
SCHEMBL8948332 0.91 RARB (0.38) 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