SCHEMBL8971419

SCHEMBL8971419

CCCCCCCCCCOc1ccc(-c2ccc(-c3ccc(OC(=O)C4COC(CCCCC)OC4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.36
THRA P10827 2/20 0.35
THRB P10828 2/20 0.35
S1PR5 Q9H228 2/20 0.34
S1PR1 P21453 1/20 0.34
PTPN1 P18031 1/20 0.33
PTPN6 P29350 1/20 0.33
PLA2G2D Q9UNK4 1/20 0.33
F10 P00742 1/20 0.33
FAAH O00519 6/20 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
SCHEMBL8971790 1.00 PTPN11 (0.36) PTPN11THRATHRBS1PR5S1PR1
SCHEMBL8971133 0.93 PTPN11 (0.38) PTPN11THRATHRBS1PR5S1PR1
SCHEMBL8971819 0.90 RARB (0.37) PTPN11THRATHRBS1PR1FAAH
SCHEMBL8971278 0.85 PTPN11 (0.38) PTPN11THRATHRBS1PR5S1PR1
SCHEMBL8971257 0.84 FPR2 (0.32) PTPN11
SCHEMBL8970598 0.83 ALDH1A1 (0.34) PTPN11S1PR5S1PR1
SCHEMBL8970621 0.83 ALDH1A1 (0.34) PTPN11S1PR5S1PR1
SCHEMBL8971756 0.82 PTPN11 (0.36) PTPN11THRATHRBS1PR5S1PR1
SCHEMBL8971747 0.82 PTPN11 (0.36) PTPN11THRATHRBS1PR5S1PR1
SCHEMBL8957200 0.82 FPR2 (0.37) PTPN11S1PR5S1PR1

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