SCHEMBL8969016

SCHEMBL8969016

CCOc1ccc(-c2ccc(-c3ccc(CCC4CCC(C)CC4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.40
FFAR4 Q5NUL3 1/20 0.34
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
HTR2A P28223 3/20 0.32
HTR2C P28335 3/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM1A O60341 2/20 0.32
RET P07949 4/20 0.31
FGFR2 P21802 2/20 0.31
FGFR1 P11362 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 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
SCHEMBL8969450 0.87 NAAA (0.38) NAAAFFAR4GRIN1GRIN2BRET
SCHEMBL15256176 0.87 NAAA (0.39) NAAAFFAR4HTR2AHTR2CKDM1A
SCHEMBL8969240 0.85 NAAA (0.39) NAAAFFAR4GRIN1GRIN2B
SCHEMBL13262919 0.85 NAAA (0.38) NAAAFFAR4
SCHEMBL8970688 0.85 NAAA (0.53) NAAAFGFR2FGFR1
SCHEMBL12113639 0.84 FFAR4 (0.44) FFAR4GRIN1GRIN2BALDH1A1FGFR2
SCHEMBL15381742 0.84 NAAA (0.38) NAAAFFAR4GRIN1GRIN2BHTR2A
SCHEMBL8969206 0.82 FFAR4 (0.35) NAAAFFAR4GRIN1GRIN2BKDM1A
SCHEMBL8932327 0.81 NAAA (0.42) NAAAFFAR4ALDH1A1RETFGFR2
SCHEMBL16270061 0.81 ALDH1A1 (0.34) FFAR4GRIN1GRIN2BALDH1A1KDM1A

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