SCHEMBL8970616

SCHEMBL8970616

CCCCCCCCOc1ccc(-c2ccc(-c3ccc(OCC4COC(CCCCC)OC4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 4/20 0.34
S1PR1 P21453 3/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
FFAR4 Q5NUL3 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
S1PR3 Q99500 2/20 0.33
S1PR4 O95977 1/20 0.33
S1PR5 Q9H228 1/20 0.33
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32
FPR2 P25090 1/20 0.32
S1PR2 O95136 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
NAAA Q02083 1/20 0.31
MGLL Q99685 3/20 0.31
PLA2G2A P14555 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
SCHEMBL8970598 0.93 ALDH1A1 (0.34) PTPN11S1PR1S1PR5FPR2LPAR2
SCHEMBL8970621 0.93 ALDH1A1 (0.34) PTPN11S1PR1S1PR5FPR2LPAR2
SCHEMBL8970534 0.92 S1PR1 (0.34) PTPN11S1PR1THRATHRBFFAR4
SCHEMBL8970757 0.88 PTPN11 (0.34) PTPN11S1PR1THRATHRBFFAR4
SCHEMBL8969744 0.86 CNR2 (0.33) PTPN11S1PR1NAAA
SCHEMBL8971880 0.86 S1PR1 (0.33) PTPN11S1PR1THRATHRBS1PR3
SCHEMBL8954956 0.86 FPR2 (0.36) PTPN11S1PR1THRATHRBS1PR3
SCHEMBL8955053 0.86 FPR2 (0.36) PTPN11S1PR1THRATHRBS1PR3
SCHEMBL8955113 0.86 FPR2 (0.36) PTPN11S1PR1THRATHRBS1PR3
SCHEMBL8955134 0.86 FPR2 (0.36) PTPN11S1PR1THRATHRBS1PR3

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