SCHEMBL15744491

SCHEMBL15744491

CCCCC1CCC(c2ccc(-c3cc(F)c(-c4ccc(C(F)(F)OC(F)(F)F)cc4)c(F)c3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
DGAT1 O75907 1/20 0.34
SOAT1 P35610 1/20 0.34
CYP2C9 P11712 2/20 0.33
TP53 P04637 4/20 0.32
POLB P06746 1/20 0.32
IDO1 P14902 1/20 0.32
P2RY14 Q15391 2/20 0.32
CYP3A4 P08684 1/20 0.31
HTR2C P28335 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
SCHEMBL15744946 0.84 CYP2C9 (0.30) CYP2C9
SCHEMBL16258083 0.84 PDE2A (0.35) MAPTALDH1A1LMNAMEN1MAPK1
SCHEMBL15744294 0.83 ALDH1A1 (0.48) MAPTALDH1A1LMNAMEN1MAPK1
SCHEMBL17208626 0.83 CYP2C9 (0.34) MAPTALDH1A1LMNAMEN1MAPK1
SCHEMBL15744486 0.82 KDM1A (0.35) DGAT1
SCHEMBL16257996 0.81 PDE2A (0.34) MAPTALDH1A1LMNAMEN1MAPK1
SCHEMBL15744403 0.80 CYP2C9 (0.42) MAPTALDH1A1LMNAMEN1MAPK1
SCHEMBL15744490 0.80 CYP2C9 (0.42) MAPTALDH1A1LMNAMEN1MAPK1
SCHEMBL17208628 0.80 CYP2C9 (0.34) MAPTALDH1A1LMNAMEN1MAPK1
SCHEMBL13002677 0.80 CYP2C9 (0.40) MAPTALDH1A1LMNAMEN1MAPK1

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