SCHEMBL15744502

SCHEMBL15744502

CCCc1ccc2cc(-c3ccc(-c4cc(F)c(-c5cc(F)c(C(F)(F)OC(F)(F)F)c(F)c5)c(F)c4)c(F)c3)ccc2c1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
HRH3 Q9Y5N1 3/20 0.31
RARB P10826 1/20 0.31
PDK2 Q15119 1/20 0.31
AKR1C3 P42330 2/20 0.31
AKR1C2 P52895 2/20 0.31
FFAR4 Q5NUL3 1/20 0.31
GRM2 Q14416 1/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 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
SCHEMBL15744503 0.93 ESR1 (0.34) ESR1ESR2HRH3RARBFFAR4
SCHEMBL15744588 0.92 HRH3 (0.35) ESR1ESR2HRH3RARBFFAR4
SCHEMBL15745167 0.91 RARB (0.36) RARBPDK2GRM2S1PR1S1PR3
SCHEMBL15744808 0.90 GRM2 (0.34) ESR1ESR2HRH3RARBPDK2
SCHEMBL15744498 0.87 HRH3 (0.38) ESR1ESR2HRH3RARBFFAR4
SCHEMBL15744845 0.87 PDK2 (0.31) PDK2
SCHEMBL15744392 0.87 GRM2 (0.32) PDK2GRM2S1PR1S1PR3
SCHEMBL15745067 0.87 GRM2 (0.32) PDK2GRM2S1PR1S1PR3
SCHEMBL15744943 0.87 S1PR1 (0.36) GRM2S1PR1S1PR3
SCHEMBL15744940 0.87 FFAR4 (0.32) ESR1ESR2FFAR4GRM2S1PR1

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