SCHEMBL14767161

SCHEMBL14767161

C=CCCOc1ccc(/C=C/C2CCC(c3ccc(C4CCC(OCC)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.33
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL14766675 0.94 SCN9A (0.33) TUBB1ALDH1A1
SCHEMBL14766537 0.91 HTR2C (0.34) TUBB1HPGD
SCHEMBL14766515 0.91 SCN9A (0.32) TUBB1HPGDALDH1A1MAPTMAPK1
SCHEMBL12739066 0.90 HPGD (0.32) TUBB1HPGDALDH1A1MAPTMAPK1
SCHEMBL14766691 0.90 TUBB1 (0.41) TUBB1HPGDALDH1A1MAPTMAPK1
SCHEMBL12739071 0.88 KDM4E (0.33) TUBB1HPGDALDH1A1MAPTMAPK1
SCHEMBL10301907 0.88 TUBB1 (0.33) TUBB1
SCHEMBL14765723 0.87 KDM1A (0.32)
SCHEMBL14766697 0.87 TUBB1 (0.34) TUBB1HPGDALDH1A1MAPTMAPK1
SCHEMBL12822763 0.86 HPGD (0.30) HPGD

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