SCHEMBL4339742

SCHEMBL4339742

O=C(c1ccc(Cl)cc1)c1ccccc1Oc1ccc(S(=O)(=O)c2ccc(Oc3ccccc3C(=O)c3ccc(Cl)cc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
NR4A1 P22736 1/20 0.48
STS P08842 1/20 0.47
CCR2 P41597 2/20 0.46
CCR1 P32246 1/20 0.46
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 2/20 0.44
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BDKRB1 P46663 1/20 0.43
APEX1 P27695 1/20 0.43
CTDSP1 Q9GZU7 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
SCHEMBL11451250 1.00 MAPT (0.50) MAPTNR4A1STSCCR2CCR1
SCHEMBL6114281 0.88 STS (0.48) STSL3MBTL1POLBBDKRB1APEX1
SCHEMBL6059424 0.86 NR4A1 (0.60) MAPTNR4A1ALDH1A1L3MBTL1GAA
SCHEMBL17570211 0.85 STS (0.57) MAPTNR4A1STSALDH1A1L3MBTL1
SCHEMBL11451249 0.84 MMP2 (0.47) MAPTALDH1A1L3MBTL1HPGDKMT2A
SCHEMBL9481869 0.83 NR4A1 (0.54) MAPTNR4A1ALDH1A1L3MBTL1GAA
SCHEMBL17207952 0.82 HPGD (0.56) MAPTALDH1A1L3MBTL1HPGDKMT2A
SCHEMBL809347 0.82 HPGD (0.56) MAPTALDH1A1L3MBTL1HPGDKMT2A
SCHEMBL12960261 0.82 HPGD (0.56) MAPTALDH1A1L3MBTL1HPGDKMT2A
SCHEMBL12960262 0.82 HPGD (0.56) MAPTALDH1A1L3MBTL1HPGDKMT2A

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-2112133-B1 Halogenated aromatic compound, polymer thereof, and proton-conductive membrane comprising same JSR CORP (JP) 2012-07-04 EP disclosed
EP-2112133-A1 Halogenated aromatic compound, polymer thereof, and proton-conductive membrane comprising same JSR Corporation (JP) 2009-10-28 EP disclosed
EP-1245555-B1 Halogenated aromatic compound, polymer thereof, and proton-conductive membrane comprising same JSR CORP (JP) 2009-08-19 EP disclosed
US-6825310-B2 POLYETHER KETONE POLYMERS PROVIDE STABLE MECHANICAL AND THERMAL PROPERTIES (DURABILITY) WHEN SULFONATED; FOR USE IN BATTERIES/FUEL CELLS JSR CORPORATION (JP) 2004-11-30 US disclosed
US-20020188097-A1 Polyether ketone polymers provide stable mechanical and thermal properties (durability) when sulfonated; for use in batteries/fuel cells JSR CORPORATION (JP) 2002-12-12 US disclosed
EP-1245555-A1 Halogenated aromatic compound, polymer thereof, and proton-conductive membrane comprising same JSR Corporation (JP) 2002-10-02 EP disclosed