SCHEMBL15744300

SCHEMBL15744300

CCCC1CCC(c2ccc(-c3ccc(C(F)(F)Br)cc3)c(F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.44
CYP3A4 P08684 3/20 0.44
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
FASN P49327 1/20 0.38
APP P05067 4/20 0.37
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
RORC P51449 4/20 0.35
ESR2 Q92731 1/20 0.34
RORA P35398 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
P2RY14 Q15391 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL8997321 0.91 CYP2C9 (0.45) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL8997327 0.91 CYP2C9 (0.45) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL165846 0.90 CYP2C9 (0.49) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL165845 0.90 CYP2C9 (0.49) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL19789502 0.90 CYP2C9 (0.49) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL8831577 0.90 CYP2C9 (0.49) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL8110586 0.89 CYP2C9 (0.43) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL8110583 0.89 CYP2C9 (0.43) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL8997231 0.87 CYP2C9 (0.44) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL8997238 0.87 CYP2C9 (0.44) CYP2C9CYP3A4ALDH1A1LMNAMAPT

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