SCHEMBL15744808

SCHEMBL15744808

CCCc1ccc2cc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5cc(F)c(C(F)(F)OC(F)(F)F)c(F)c5)c(F)c4)c(F)c3)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.34
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
RARB P10826 1/20 0.31
PDK2 Q15119 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 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
SCHEMBL15744839 0.93 HRH3 (0.33) ESR1ESR2HRH3RARBFFAR4
SCHEMBL15745105 0.93 HRH3 (0.33) ESR1ESR2HRH3RARBFFAR4
SCHEMBL15744321 0.92 GRM2 (0.35) GRM2ALOX5APFEN1S1PR1S1PR3
SCHEMBL15745124 0.92 GRM2 (0.35) GRM2ALOX5APFEN1S1PR1S1PR3
SCHEMBL15745053 0.91 GRM2 (0.35) GRM2ALOX5APFEN1S1PR1S1PR3
SCHEMBL15744502 0.90 ESR1 (0.32) GRM2S1PR1S1PR3ESR1ESR2
SCHEMBL15745069 0.90 ALOX5AP (0.33) GRM2ALOX5APFEN1
SCHEMBL15745191 0.89 KIF11 (0.34) HRH3
SCHEMBL15744836 0.88 HRH3 (0.33) HRH3
SCHEMBL15745067 0.88 GRM2 (0.32) GRM2ALOX5APFEN1S1PR1S1PR3

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 4 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