SCHEMBL15744373

SCHEMBL15744373

CCCC1CCC(COc2ccc(-c3cc(F)c(C(F)(F)OC(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.38
FFAR1 O14842 1/20 0.36
PPARD Q03181 1/20 0.36
SCN9A Q15858 1/20 0.35
DGAT1 O75907 1/20 0.34
PDK2 Q15119 1/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34
PARP15 Q460N3 2/20 0.33
PARP10 Q53GL7 2/20 0.33
PARP2 Q9UGN5 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
SCHEMBL15745001 0.88 PDK2 (0.39) FFAR4FFAR1PPARDSCN9APDK2
SCHEMBL7913388 0.86 FFAR4 (0.39) FFAR4FFAR1PPARDSCN9ADGAT1
SCHEMBL7916916 0.86 FFAR4 (0.39) FFAR4FFAR1PPARDSCN9ADGAT1
SCHEMBL7916918 0.86 FFAR4 (0.39) FFAR4FFAR1PPARDSCN9ADGAT1
SCHEMBL15744844 0.85 SCN9A (0.35) FFAR1SCN9APDK2PARP15PARP10
SCHEMBL15744469 0.84 CHRM2 (0.32)
SCHEMBL15744490 0.84 CYP2C9 (0.42) FFAR4DGAT1
SCHEMBL15744403 0.84 CYP2C9 (0.42) FFAR4DGAT1
SCHEMBL15744319 0.84 MAOB (0.36) FFAR4RARARARBMAOB
SCHEMBL17072364 0.83 PARP10 (0.39) FFAR4FFAR1PPARDSCN9ADGAT1

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