SCHEMBL8969506

SCHEMBL8969506

CCCCCCCC1OCC(CCc2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)cc2F)CO1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.36
FFAR4 Q5NUL3 1/20 0.31
RARB P10826 2/20 0.30
RARA P10276 1/20 0.30
RARG P13631 1/20 0.30
FPR2 P25090 1/20 0.30
S1PR1 P21453 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
SCHEMBL8969551 0.93 NAAA (0.37) NAAAFFAR4FPR2S1PR1
SCHEMBL8969514 0.92 CTSL (0.31) FFAR4FPR2
SCHEMBL8969459 0.92 CTSL (0.31) FFAR4FPR2
SCHEMBL8969744 0.91 CNR2 (0.33) NAAARARBS1PR1
SCHEMBL8969598 0.90 S1PR1 (0.33) NAAARARBFPR2S1PR1
SCHEMBL8969132 0.87 NAAA (0.35) NAAAS1PR1
SCHEMBL8969677 0.87 CTSL (0.32) FFAR4FPR2
SCHEMBL13000830 0.86 RARB (0.31) RARBRARARARG
SCHEMBL8969505 0.86 RARB (0.37) FFAR4RARBFPR2S1PR1
SCHEMBL8955105 0.84 FPR2 (0.34) NAAAFFAR4FPR2

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