SCHEMBL8969240

SCHEMBL8969240

CCCCCC1CCC(CCCCc2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)cc2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.39
CNR2 P34972 8/20 0.34
S1PR1 P21453 2/20 0.34
CNR1 P21554 5/20 0.33
RARB P10826 4/20 0.33
RARA P10276 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
RARG P13631 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 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
SCHEMBL424417 0.90 NAAA (0.40) NAAACNR2S1PR1RARBRARA
SCHEMBL8969516 0.90 SLC6A2 (0.36) NAAACNR2SLC6A2SLC6A4SLC6A3
SCHEMBL15256176 0.89 NAAA (0.39) NAAAS1PR1RARBRARAFFAR4
SCHEMBL8932785 0.87 FFAR4 (0.38) NAAAS1PR1FFAR4GRIN1GRIN2B
SCHEMBL8969132 0.86 NAAA (0.35) NAAAS1PR1SLC6A2SLC6A4SLC6A3
SCHEMBL8934124 0.86 OPRL1 (0.34) NAAARARBRARAFFAR4GRIN1
SCHEMBL8969016 0.85 NAAA (0.40) NAAAFFAR4GRIN1GRIN2B
SCHEMBL8934342 0.85 OPRL1 (0.34) NAAARARBRARAFFAR4GRIN1
SCHEMBL8969239 0.85 CNR2 (0.35) CNR2CNR1SLC6A2SLC6A4SLC6A3
SCHEMBL8969254 0.84 CNR2 (0.35) CNR2CNR1SLC6A2SLC6A4SLC6A3

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