SCHEMBL15744346

SCHEMBL15744346

CCCC1CCC(C2CCC(c3ccc(C(F)(F)OC(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 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
HTR2C P28335 2/20 0.35
IDO1 P14902 1/20 0.33
ESR1 P03372 1/20 0.33
CYP3A4 P08684 1/20 0.33
TLR4 O00206 1/20 0.32
CNR2 P34972 2/20 0.31
DRD2 P14416 3/20 0.31
SPHK1 Q9NYA1 1/20 0.31
HTT P42858 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 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
SCHEMBL15744294 0.92 ALDH1A1 (0.48) ALDH1A1MAPTLMNAMEN1MAPK1
SCHEMBL15744492 0.89 ALDH1A1 (0.40) ALDH1A1MAPTLMNAMEN1MAPK1
SCHEMBL7733363 0.85 ALDH1A1 (0.44) ALDH1A1MAPTLMNAMEN1MAPK1
SCHEMBL7733375 0.85 ALDH1A1 (0.44) ALDH1A1MAPTLMNAMEN1MAPK1
SCHEMBL7733383 0.85 ALDH1A1 (0.44) ALDH1A1MAPTLMNAMEN1MAPK1
SCHEMBL15745215 0.84 ALDH1A1 (0.38) ALDH1A1MAPTLMNAMEN1MAPK1
SCHEMBL15744874 0.84 ALDH1A1 (0.38) ALDH1A1MAPTLMNAMEN1MAPK1
SCHEMBL15744958 0.84 ALDH1A1 (0.36) ALDH1A1MAPTLMNAMEN1MAPK1
SCHEMBL9224351 0.84 ALDH1A1 (0.54) ALDH1A1MAPTLMNAMEN1MAPK1
SCHEMBL9224377 0.84 ALDH1A1 (0.54) ALDH1A1MAPTLMNAMEN1MAPK1

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 5 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
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