SCHEMBL8969744

SCHEMBL8969744

CCCCCCCCOc1ccc(-c2ccc(-c3ccc(CCCCC4COC(CCCCC)OC4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.33
CNR1 P21554 10/20 0.33
S1PR1 P21453 1/20 0.33
PTPN11 Q06124 1/20 0.32
RARB P10826 1/20 0.32
NAAA Q02083 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
SCHEMBL8969598 0.99 S1PR1 (0.33) CNR2CNR1S1PR1PTPN11RARB
SCHEMBL8969780 0.92 CNR2 (0.34) CNR2CNR1RARB
SCHEMBL8969591 0.92 CNR2 (0.34) CNR2CNR1RARB
SCHEMBL8969882 0.92 CNR2 (0.34) CNR2CNR1RARB
SCHEMBL8969506 0.91 NAAA (0.36) S1PR1RARBNAAA
SCHEMBL8969239 0.89 CNR2 (0.35) CNR2CNR1
SCHEMBL8969551 0.87 NAAA (0.37) S1PR1NAAA
SCHEMBL8970751 0.87 NAAA (0.39) CNR2CNR1PTPN11NAAA
SCHEMBL8970851 0.87 NAAA (0.41) PTPN11NAAA
SCHEMBL8969819 0.87 RARB (0.42) S1PR1PTPN11RARB

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