SCHEMBL13239282

SCHEMBL13239282

C/C=C/c1ccc(-c2ccc(-c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.37
TUBB1 Q9H4B7 2/20 0.36
CYP3A4 P08684 3/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KIF11 P52732 1/20 0.35
PDK2 Q15119 1/20 0.33
KDM1A O60341 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NFE2L2 Q16236 1/20 0.33
ANPEP P15144 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP21A2 P08686 1/20 0.32
CYP11B1 P15538 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 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
SCHEMBL13412062 1.00 CNR2 (0.37) CNR2TUBB1CYP3A4ALDH1A1LMNA
SCHEMBL13412066 0.90 TUBB1 (0.42) CNR2TUBB1CYP3A4ALDH1A1KDM4E
SCHEMBL13239294 0.89 CNR2 (0.36) CNR2TUBB1CYP3A4ALDH1A1LMNA
SCHEMBL13412063 0.87 PDK2 (0.38) CNR2CYP3A4ALDH1A1LMNATP53
SCHEMBL4434166 0.85 NFE2L2 (0.46) CNR2CYP3A4ALDH1A1LMNATP53
SCHEMBL12230850 0.85 NFE2L2 (0.46) CNR2CYP3A4ALDH1A1LMNATP53
SCHEMBL20888423 0.85 NFE2L2 (0.46) CNR2CYP3A4ALDH1A1LMNATP53
SCHEMBL11957388 0.85 NFE2L2 (0.46) CNR2CYP3A4ALDH1A1LMNATP53
SCHEMBL12625708 0.83 ALOX5AP (0.33) CYP3A4ALDH1A1LMNATP53TSHR
SCHEMBL24122285 0.81 ALOX5 (0.39) CNR2TUBB1CYP3A4ALDH1A1LMNA

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2837670-B1 FLUOROBIPHENYL-CONTAINING COMPOSITION DAINIPPON INK & CHEMICALS (JP) 2017-09-27 EP disclosed
US-9441160-B2 Fluorobiphenyl-containing composition DIC CORPORATION (JP) 2016-09-13 US disclosed
US-9441160-B2 Fluorobiphenyl-containing composition DIC CORPORATION (JP) 2016-09-13 US disclosed
US-9181478-B2 Fluorobiphenyl-containing composition DIC CORPORATION (JP) 2015-11-10 US disclosed
US-9181478-B2 Fluorobiphenyl-containing composition DIC CORPORATION (JP) 2015-11-10 US disclosed
US-20150291881-A1 FLUOROBIPHENYL-CONTAINING COMPOSITION DIC CORPORATION (JP) 2015-10-15 US disclosed
US-20150291881-A1 FLUOROBIPHENYL-CONTAINING COMPOSITION DIC CORPORATION (JP) 2015-10-15 US disclosed
US-20150252263-A1 FLUOROBIPHENYL-CONTAINING COMPOSITION DIC CORPORATION (JP) 2015-09-10 US disclosed
US-20150252263-A1 FLUOROBIPHENYL-CONTAINING COMPOSITION DIC CORPORATION (JP) 2015-09-10 US disclosed
US-20150053891-A1 FLUOROBIPHENYL-CONTAINING COMPOSITION DIC CORPORATION (JP) 2015-02-26 US disclosed
US-20150053891-A1 FLUOROBIPHENYL-CONTAINING COMPOSITION DIC CORPORATION (JP) 2015-02-26 US disclosed
US-7754103-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2010-07-13 US disclosed
US-7754103-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2010-07-13 US disclosed
US-20090194738-A1 Liquid-crystalline medium MANABE ATSUTAKA 2009-08-06 US disclosed
US-20090194738-A1 Liquid-crystalline medium MANABE ATSUTAKA 2009-08-06 US disclosed