SCHEMBL15744940

SCHEMBL15744940

CCCc1ccc2cc(-c3ccc(-c4cc(F)c(COc5cc(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 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.32
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
PTGS2 P35354 1/20 0.30
GRM2 Q14416 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL15744353 0.94 FFAR4 (0.32) FFAR4ESR1ESR2
SCHEMBL15744908 0.91 ALOX5AP (0.31) ALOX5APFEN1
SCHEMBL15745117 0.90 FFAR1 (0.32) FFAR4ESR1ESR2
SCHEMBL15744943 0.90 S1PR1 (0.36) S1PR1S1PR3HDAC1HDAC6HDAC5
SCHEMBL15744808 0.88 GRM2 (0.34) FFAR4S1PR1S1PR3ESR1ESR2
SCHEMBL15745088 0.87 HDAC1 (0.38) FFAR4HDAC1HDAC6HDAC5
SCHEMBL15744502 0.87 ESR1 (0.32) FFAR4S1PR1S1PR3ESR1ESR2
SCHEMBL15744939 0.87 PPARD (0.35)
SCHEMBL15744846 0.87 PPARD (0.35)
SCHEMBL15744816 0.85

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