SCHEMBL15744294

SCHEMBL15744294

CCCC1CCC(c2ccc(-c3ccc(C(F)(F)OC(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP2C9 P11712 2/20 0.47
ESR2 Q92731 3/20 0.37
DGAT1 O75907 6/20 0.35
SOAT1 P35610 2/20 0.35
HTR2C P28335 2/20 0.35
IDO1 P14902 1/20 0.33
P2RY14 Q15391 2/20 0.33
ESR1 P03372 1/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL15744346 0.92 ALDH1A1 (0.48) ALDH1A1LMNAMAPTMEN1MAPK1
SCHEMBL15744301 0.86 CYP2C9 (0.41) ALDH1A1LMNAMAPTMEN1MAPK1
SCHEMBL15744601 0.84 ALDH1A1 (0.38) ALDH1A1LMNAMAPTMEN1MAPK1
SCHEMBL8095323 0.84 ALDH1A1 (0.54) ALDH1A1LMNAMAPTMEN1MAPK1
SCHEMBL8095319 0.84 ALDH1A1 (0.54) ALDH1A1LMNAMAPTMEN1MAPK1
SCHEMBL15744490 0.84 CYP2C9 (0.42) ALDH1A1LMNAMAPTMEN1MAPK1
SCHEMBL15744403 0.84 CYP2C9 (0.42) ALDH1A1LMNAMAPTMEN1MAPK1
SCHEMBL15744491 0.83 MAPT (0.34) ALDH1A1LMNAMAPTMEN1MAPK1
SCHEMBL15744299 0.83 ALDH1A1 (0.52) ALDH1A1LMNAMAPTMEN1MAPK1
SCHEMBL15744838 0.83 ALDH1A1 (0.37) ALDH1A1LMNAMAPTMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365774-B2 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-06-14 US disclosed
US-9365774-B2 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-06-14 US disclosed
EP-2735599-B1 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC CORP (JP) 2015-04-29 EP disclosed
US-20140145113-A1 LIQUID CRYSTAL COMPOUND HAVING CF2OCF3 AT TERMINAL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-05-29 US disclosed
US-20140145113-A1 LIQUID CRYSTAL COMPOUND HAVING CF2OCF3 AT TERMINAL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-05-29 US disclosed
EP-2735599-A1 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC Corporation (JP) 2014-05-28 EP disclosed