SCHEMBL10164629

SCHEMBL10164629

CCOc1ccc(-c2ccc(-c3ccc(C4CCC(CC)CC4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
ALOX5AP P20292 7/20 0.36
FEN1 P39748 7/20 0.36
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FFAR4 Q5NUL3 1/20 0.32
SSTR3 P32745 1/20 0.32
SSTR5 P35346 1/20 0.32
KCNH2 Q12809 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM1A O60341 2/20 0.32
PTPRC P08575 1/20 0.32

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
SCHEMBL19985467 0.93 FPR2 (0.36) FPR2GRIN1GRIN2BALOX5APFEN1
SCHEMBL12736238 0.93 FEN1 (0.38) FPR2GRIN1GRIN2BALOX5APFEN1
SCHEMBL12740817 0.93 FEN1 (0.38) FPR2GRIN1GRIN2BALOX5APFEN1
SCHEMBL12716045 0.91 KDM1A (0.36) FPR2GRIN1GRIN2BALOX5APFEN1
SCHEMBL9405701 0.91 KDM1A (0.36) FPR2GRIN1GRIN2BALOX5APFEN1
SCHEMBL9405698 0.91 KDM1A (0.36) FPR2GRIN1GRIN2BALOX5APFEN1
SCHEMBL8934887 0.90 FPR2 (0.35) FPR2GRIN1GRIN2BALOX5APFEN1
SCHEMBL12736885 0.89 FFAR4 (0.38) FPR2GRIN1GRIN2BALOX5APFEN1
SCHEMBL12739948 0.89 FFAR4 (0.35) FPR2GRIN1GRIN2BALOX5APFEN1
SCHEMBL12735265 0.89 FFAR4 (0.35) FPR2GRIN1GRIN2BALOX5APFEN1

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 1 patent. 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