SCHEMBL8970534

SCHEMBL8970534

CCCCCOc1ccc(-c2ccc(-c3ccc(OCC4OCC(CCCCC)CO4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.34
FFAR4 Q5NUL3 5/20 0.34
HRH3 Q9Y5N1 1/20 0.34
FPR2 P25090 1/20 0.33
PTPN11 Q06124 2/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
S1PR3 Q99500 2/20 0.32
S1PR4 O95977 1/20 0.32
S1PR5 Q9H228 1/20 0.32
NAAA Q02083 1/20 0.32
PTPN1 P18031 1/20 0.31
PTPN6 P29350 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
S1PR2 O95136 1/20 0.31
LPAR2 Q9HBW0 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
SCHEMBL8970559 0.92 PTPN11 (0.32) S1PR1FPR2PTPN11THRATHRB
SCHEMBL8970616 0.92 PTPN11 (0.34) S1PR1FFAR4HRH3FPR2PTPN11
SCHEMBL8970738 0.87 S1PR1 (0.34) S1PR1FFAR4FPR2PTPN11THRA
SCHEMBL8969598 0.86 S1PR1 (0.33) S1PR1FPR2PTPN11NAAA
SCHEMBL8971936 0.86 S1PR1 (0.33) S1PR1FPR2PTPN11S1PR3S1PR4
SCHEMBL8950130 0.86 FPR2 (0.35) S1PR1FPR2PTPN11PTPN1PTPN6
SCHEMBL8969744 0.85 CNR2 (0.33) S1PR1PTPN11NAAA
SCHEMBL8950395 0.85 PTPN11 (0.34) S1PR1FPR2PTPN11THRATHRB
SCHEMBL8950464 0.85 PTPN11 (0.34) S1PR1FPR2PTPN11THRATHRB
SCHEMBL8950136 0.85 PTPN11 (0.34) S1PR1FPR2PTPN11THRATHRB

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