SCHEMBL8969206

SCHEMBL8969206

CCOc1ccc(-c2ccc(-c3ccc(CCC4CCC(CC)CC4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
NAAA Q02083 1/20 0.33
RET P07949 1/20 0.33
FGFR2 P21802 2/20 0.32
FGFR1 P11362 1/20 0.32
CHKA P35790 1/20 0.31
FPR2 P25090 1/20 0.31
KDM1A O60341 2/20 0.30
PTPRC P08575 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
SCHEMBL9406440 0.91 KDM1A (0.35) FFAR4GRIN1GRIN2BCTSLCTSS
SCHEMBL9406448 0.91 KDM1A (0.35) FFAR4GRIN1GRIN2BCTSLCTSS
SCHEMBL22277356 0.88 FFAR4 (0.44) FFAR4GRIN1GRIN2BFGFR2FGFR1
SCHEMBL13417711 0.87 KDM1A (0.33) FFAR4GRIN1GRIN2BKDM1A
SCHEMBL22277543 0.86 FFAR4 (0.43) FFAR4GRIN1GRIN2BFGFR2FGFR1
SCHEMBL8969606 0.86 GRIN1 (0.32) FFAR4GRIN1GRIN2BCTSLCTSS
SCHEMBL8970707 0.85 NAAA (0.42) FFAR4GRIN1GRIN2BNAAARET
SCHEMBL12735087 0.85 ALOX5AP (0.33) FFAR4RETFGFR2FGFR1FPR2
SCHEMBL14765771 0.85 FFAR4 (0.35) FFAR4RETFGFR2FGFR1FPR2
SCHEMBL12739815 0.85 ALOX5AP (0.33) FFAR4RETFGFR2FGFR1FPR2

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