SCHEMBL7786753

SCHEMBL7786753

CCCCCCOc1ccc(-c2ccccc2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.53
PTPN1 P18031 1/20 0.49
PTPN6 P29350 1/20 0.49
THRA P10827 2/20 0.48
THRB P10828 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
RARB P10826 3/20 0.45
RARA P10276 2/20 0.45
SOAT1 P35610 1/20 0.45
RARG P13631 1/20 0.45
S1PR1 P21453 3/20 0.44
S1PR3 Q99500 2/20 0.44
S1PR2 O95136 1/20 0.44
LPAR2 Q9HBW0 1/20 0.44
S1PR4 O95977 1/20 0.44
S1PR5 Q9H228 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL7788886 1.00 PTPN11 (0.53) PTPN11PTPN1PTPN6THRATHRB
SCHEMBL9483389 0.92 THRA (0.53) PTPN11PTPN1PTPN6THRATHRB
SCHEMBL9477667 0.92 THRA (0.53) PTPN11PTPN1PTPN6THRATHRB
SCHEMBL9484989 0.92 THRA (0.53) PTPN11PTPN1PTPN6THRATHRB
SCHEMBL9484258 0.92 THRA (0.53) PTPN11PTPN1PTPN6THRATHRB
SCHEMBL9484995 0.92 THRA (0.53) PTPN11PTPN1PTPN6THRATHRB
SCHEMBL9484097 0.91 THRA (0.52) PTPN11PTPN1PTPN6THRATHRB
SCHEMBL9399556 0.91 THRA (0.52) PTPN11PTPN1PTPN6THRATHRB
SCHEMBL9484969 0.91 THRA (0.51) PTPN11PTPN1PTPN6THRATHRB
SCHEMBL9486073 0.89 THRA (0.51) PTPN11PTPN1PTPN6THRATHRB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144546-A3 FLUORINATED TERPHENYLS QinetiQ Limited (GB) 2002-08-28 EP disclosed
EP-1144546-A2 FLUORINATED TERPHENYLS QinetiQ Limited (GB) 2001-10-17 EP disclosed
WO-2000004111-A2 FLUORINATED TERPHENYLS THE SECRETARY OF STATE FOR DEFENCE (GB) 2000-01-27 WO disclosed