SCHEMBL7790281

SCHEMBL7790281

CCCCCCOc1ccc(Br)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYSLTR2 Q9NS75 1/20 0.48
CYSLTR1 Q9Y271 1/20 0.48
S1PR3 Q99500 2/20 0.47
S1PR2 O95136 1/20 0.47
S1PR1 P21453 1/20 0.47
LPAR2 Q9HBW0 1/20 0.47
HPGD P15428 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMPD1 P17405 3/20 0.43
PTPN11 Q06124 1/20 0.43

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
SCHEMBL8751858 1.00 THRA (0.51) THRATHRBSMN1; SMN2NPSR1CYSLTR2
SCHEMBL6660945 1.00 THRA (0.51) THRATHRBSMN1; SMN2NPSR1CYSLTR2
SCHEMBL8216929 1.00 THRA (0.51) THRATHRBSMN1; SMN2NPSR1CYSLTR2
SCHEMBL8751869 1.00 THRA (0.51) THRATHRBSMN1; SMN2NPSR1CYSLTR2
SCHEMBL30294102 1.00 THRA (0.51) THRATHRBSMN1; SMN2NPSR1CYSLTR2
SCHEMBL8751890 1.00 THRA (0.51) THRATHRBSMN1; SMN2NPSR1CYSLTR2
SCHEMBL8216926 1.00 THRA (0.51) THRATHRBSMN1; SMN2NPSR1CYSLTR2
SCHEMBL8751850 1.00 THRA (0.51) THRATHRBSMN1; SMN2NPSR1CYSLTR2
SCHEMBL8773981 1.00 THRA (0.51) THRATHRBSMN1; SMN2NPSR1CYSLTR2
SCHEMBL6687682 0.98 SMN1; SMN2 (0.50) THRATHRBSMN1; SMN2NPSR1CYSLTR2

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 6 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
EP-0496896-B1 CYCLOBUTANECARBOXYLIC ACID DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME KANTO KAGAKU (JP) 1997-11-05 EP disclosed
US-5545747-A STABLE FERROELECTRIC LIQUID CRYSTALLINE COMPOUNDS KANTO KAGAKU KABUSHIKI KAISHA (JP) 1996-08-13 US disclosed
EP-0496896-A1 CYCLOBUTANECARBOXYLIC ACID DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME KANTO KAGAKU KABUSHIKI KAISHA (JP) 1992-08-05 EP disclosed