SCHEMBL15744299

SCHEMBL15744299

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 2/20 0.51
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
ESR2 Q92731 3/20 0.41
HTR2C P28335 2/20 0.38
DGAT1 O75907 4/20 0.38
SOAT1 P35610 2/20 0.38
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ESR1 P03372 1/20 0.36
CYP3A4 P08684 1/20 0.36
P2RY14 Q15391 1/20 0.35
CNR2 P34972 2/20 0.33
SPHK1 Q9NYA1 1/20 0.33
CHEK2 O96017 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
SCHEMBL8095319 0.89 ALDH1A1 (0.54) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL8095323 0.89 ALDH1A1 (0.54) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL4796050 0.87 CYP2C9 (0.63) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL2383177 0.87 CYP2C9 (0.63) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL11284298 0.87 ALDH1A1 (0.51) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL9074146 0.85 ALDH1A1 (0.50) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL9074151 0.85 ALDH1A1 (0.50) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL15744300 0.84 CYP2C9 (0.44) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL9074480 0.84 ALDH1A1 (0.49) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL11280773 0.84 ALDH1A1 (0.49) ALDH1A1LMNAMAPTCYP2C9MEN1

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