SCHEMBL8969435

SCHEMBL8969435

CCOc1ccc(-c2ccc(-c3ccc(CCC4CCCOC4)cc3F)cc2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.38
PTGDR2 Q9Y5Y4 4/20 0.33
GSK3B P49841 2/20 0.33
KCNH2 Q12809 2/20 0.33
GRM2 Q14416 2/20 0.32
FPR2 P25090 2/20 0.32
HTR2A P28223 1/20 0.31
FGFR2 P21802 1/20 0.31
CHKA P35790 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CCNT1 O60563 2/20 0.31
CDK9 P50750 1/20 0.31
NAAA Q02083 1/20 0.31

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
SCHEMBL8969193 0.88 FFAR4 (0.41) FFAR4PTGDR2FGFR2CHKA
SCHEMBL10152735 0.82 GSK3B (0.35) GSK3BKCNH2GRM2HTR2ACHKA
SCHEMBL8969384 0.79 FFAR4 (0.39) FFAR4GRM2FPR2HTR2AFGFR2
SCHEMBL17827774 0.78 FFAR4 (0.47) FFAR4PTGDR2GRM2FGFR2
SCHEMBL8969505 0.78 RARB (0.37) FFAR4FPR2
SCHEMBL8969201 0.78 RARB (0.38) FFAR4
SCHEMBL10303371 0.77 GABRA1 (0.43) FFAR4FGFR2CHKA
SCHEMBL20111639 0.77 CCNT1 (0.32) L3MBTL1CCNT1CDK9
SCHEMBL1311986 0.75 FFAR4 (0.45) FFAR4GRM2FGFR2
SCHEMBL9406087 0.75 FFAR4 (0.45) FFAR4GRM2FGFR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed