SCHEMBL14766697

SCHEMBL14766697

CCCCOc1ccc(/C=C/C2CCC(c3ccc(C4CCC(OCCCC)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.34
SCN9A Q15858 1/20 0.34
PDE4B Q07343 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 1/20 0.31
PRKCD Q05655 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL14766307 0.97 TUBB1 (0.38) TUBB1SCN9APDE4BALDH1A1MAPT
SCHEMBL14767007 0.97 TUBB1 (0.34) TUBB1SCN9APDE4BALDH1A1MAPT
SCHEMBL14766515 0.95 SCN9A (0.32) TUBB1SCN9APDE4BALDH1A1MAPT
SCHEMBL14766675 0.94 SCN9A (0.33) TUBB1SCN9AALDH1A1SMN1; SMN2TDP1
SCHEMBL15495057 0.92 TUBB1 (0.40) TUBB1SCN9APDE4BALDH1A1MAPT
SCHEMBL12739054 0.90 SCN9A (0.35) TUBB1SCN9APDE4BALDH1A1MAPT
SCHEMBL14766691 0.90 TUBB1 (0.41) TUBB1ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL10301901 0.87 SCN9A (0.35) TUBB1SCN9APDE4BALDH1A1MAPT
SCHEMBL12739055 0.87 SMN1; SMN2 (0.36) TUBB1SCN9AALDH1A1MAPTMAPK1
SCHEMBL14767161 0.87 TUBB1 (0.33) TUBB1ALDH1A1MAPTMAPK1L3MBTL1

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed