SCHEMBL8939548

SCHEMBL8939548

CCCCCCCCc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)CO4)cc3F)cc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.36
FASN P49327 1/20 0.34
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

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
SCHEMBL8939693 1.00 RARB (0.36) RARBFASNMEN1TP53CYP3A4
SCHEMBL8939657 1.00 RARB (0.36) RARBFASNMEN1TP53CYP3A4
SCHEMBL8939546 1.00 RARB (0.36) RARBFASNMEN1TP53CYP3A4
SCHEMBL8939627 1.00 RARB (0.36) RARBFASNMEN1TP53CYP3A4
SCHEMBL8939575 0.99 FASN (0.35) RARBFASNMEN1TP53CYP3A4
SCHEMBL8939688 0.96 RARB (0.36) RARBFASNMEN1TP53CYP3A4
SCHEMBL8939841 0.96 RARB (0.36) RARBFASNMEN1TP53CYP3A4
SCHEMBL8939678 0.96 RARB (0.36) RARBFASNMEN1TP53CYP3A4
SCHEMBL8939831 0.96 RARB (0.36) RARBFASNMEN1TP53CYP3A4
SCHEMBL8939906 0.96 RARB (0.36) RARBFASNMEN1TP53CYP3A4

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