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SCHEMBL8971278

SCHEMBL8971278

CCCCCCOc1ccc(-c2ccc(-c3ccc(OC(=O)C4OCC(CCCCC)CO4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 7/20 0.38
▸ PTPN1 P18031 1/20 0.35
▸ PTPN6 P29350 1/20 0.35
▸ S1PR5 Q9H228 2/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ PLA2G2D Q9UNK4 1/20 0.33
▸ THRA P10827 2/20 0.33
▸ THRB P10828 2/20 0.33
▸ RARB P10826 4/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL8971115 0.92 PTPN11 (0.38) PTPN11PTPN1PTPN6S1PR5S1PR1
SCHEMBL8971017 0.88 PPARD (0.35) PTPN11S1PR1RARB
SCHEMBL8971790 0.85 PTPN11 (0.36) PTPN11PTPN1PTPN6S1PR5S1PR1
SCHEMBL8971419 0.85 PTPN11 (0.36) PTPN11PTPN1PTPN6S1PR5S1PR1
SCHEMBL8971126 0.83 FFAR4 (0.33) THRATHRB
SCHEMBL8970995 0.83 FFAR4 (0.33) THRATHRB
SCHEMBL8970559 0.83 PTPN11 (0.32) PTPN11S1PR5S1PR1THRATHRB
SCHEMBL8971327 0.82 PTPN11 (0.36) PTPN11PTPN1PTPN6S1PR5S1PR1
SCHEMBL8952017 0.82 FPR2 (0.33) PTPN11S1PR5S1PR1THRATHRB
SCHEMBL8951909 0.82 FPR2 (0.33) PTPN11S1PR5S1PR1THRATHRB

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