SCHEMBL15744342

SCHEMBL15744342

CCCCOc1ccc2c(F)c(-c3ccc(-c4ccc(C(F)(F)OC(F)(F)F)c(F)c4)c(F)c3)c(F)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.35
S1PR1 P21453 3/20 0.35
S1PR3 Q99500 2/20 0.35
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
PPM1A P35813 1/20 0.33
PDK2 Q15119 3/20 0.33
PPARD Q03181 3/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
HMOX1 P09601 1/20 0.30
PTPN11 Q06124 1/20 0.30
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL15744330 0.95 PPM1A (0.35) MCL1PPM1APDK2PPARDRARA
SCHEMBL15745166 0.74
SCHEMBL12623176 0.73 ALOX5AP (0.43) MCL1S1PR1S1PR3ALOX5APFEN1
SCHEMBL15745000 0.72 ALOX5AP (0.32) ALOX5APFEN1PPARDHMOX1FFAR1
SCHEMBL15744412 0.71 KIF11 (0.35) S1PR1S1PR3PDK2RARB
SCHEMBL15744388 0.71 MPL (0.31)
SCHEMBL15744240 0.69 FFAR1 (0.36) PPARDFFAR1
SCHEMBL12625757 0.69 RARB (0.41) MCL1S1PR1S1PR3ALOX5APFEN1
SCHEMBL18747719 0.69 S1PR1 (0.35) MCL1S1PR1S1PR3ALOX5APFEN1
SCHEMBL18747829 0.69 S1PR1 (0.36) MCL1S1PR1S1PR3ALOX5APFEN1

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