SCHEMBL8971819

SCHEMBL8971819

CCCCCCCOc1ccc(-c2ccc(-c3ccc(OC(=O)C4COC(CCCCC)OC4)cc3F)cc2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.37
PTPN11 Q06124 4/20 0.36
PPARD Q03181 2/20 0.36
THRA P10827 2/20 0.35
THRB P10828 2/20 0.35
FAAH O00519 7/20 0.35
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33

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
SCHEMBL10775674 0.91 PTPN11 (0.41) RARBPTPN11FAAHS1PR1S1PR3
SCHEMBL10780960 0.91 PTPN11 (0.41) RARBPTPN11FAAHS1PR1S1PR3
SCHEMBL10779322 0.90 PTPN11 (0.40) RARBPTPN11FAAHS1PR1S1PR3
SCHEMBL8971790 0.90 PTPN11 (0.36) PTPN11THRATHRBFAAHS1PR1
SCHEMBL8971419 0.90 PTPN11 (0.36) PTPN11THRATHRBFAAHS1PR1
SCHEMBL10776708 0.89 PTPN11 (0.44) RARBPTPN11THRATHRBFAAH
SCHEMBL10779065 0.89 PTPN11 (0.44) RARBPTPN11THRATHRBFAAH
SCHEMBL10780141 0.89 S1PR1 (0.39) RARBPTPN11FAAHS1PR1S1PR3
SCHEMBL8971133 0.89 PTPN11 (0.38) RARBPTPN11THRATHRBFAAH
SCHEMBL10775870 0.89 FFAR4 (0.40) RARBPTPN11FAAHS1PR1S1PR3

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