SCHEMBL13586161

SCHEMBL13586161

CCOc1ccc(/C=C/C2CCC(c3ccc(C4CCC(OC)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 7/20 0.44
KDM1A O60341 2/20 0.36
TNFRSF1A P19438 1/20 0.35
KMT2A Q03164 3/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 2/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ABL1 P00519 1/20 0.31
ABCB1 P08183 1/20 0.31
BCR P11274 1/20 0.31
NAAA Q02083 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL14766691 0.92 TUBB1 (0.41) TUBB1KDM1ATNFRSF1AKMT2AALDH1A1
SCHEMBL12739045 0.90 TUBB1 (0.42) TUBB1KDM1ATNFRSF1AKMT2AALDH1A1
SCHEMBL12739050 0.90 TUBB1 (0.42) TUBB1KDM1ATNFRSF1AKMT2AALDH1A1
SCHEMBL10302965 0.90 TUBB1 (0.53) TUBB1KDM1ATNFRSF1AKMT2AMAPT
SCHEMBL12822707 0.90 TUBB1 (0.48) TUBB1KDM1A
SCHEMBL12739037 0.89 TUBB1 (0.41) TUBB1KDM1ATNFRSF1AKMT2AHPGD
SCHEMBL12739046 0.89 TUBB1 (0.41) TUBB1KDM1ATNFRSF1AKMT2AHPGD
SCHEMBL12739044 0.88 TUBB1 (0.40) TUBB1KDM1ATNFRSF1AALDH1A1HPGD
SCHEMBL15495057 0.88 TUBB1 (0.40) TUBB1KDM1ATNFRSF1AKMT2AALDH1A1
SCHEMBL12739049 0.88 TUBB1 (0.40) TUBB1KDM1ATNFRSF1AKMT2AHPGD

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 2 patents. 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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 WO disclosed