SCHEMBL3445522

SCHEMBL3445522

C=Cc1ccc(OCCOS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.53
CA1 P00915 4/20 0.53
CA9 Q16790 4/20 0.53
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
PTPN1 P18031 2/20 0.43
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PPARA Q07869 1/20 0.39
POLB P06746 1/20 0.38
CA2 P00918 3/20 0.38
CA7 P43166 3/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38

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
SCHEMBL8069545 0.88 CA12 (0.63) CA12CA1CA9HTTL3MBTL1
SCHEMBL3602803 0.87 CA12 (0.54) CA12CA1CA9PTPN1HPGD
SCHEMBL28839012 0.86 CA12 (0.53) CA12CA1CA9PTPN1HPGD
SCHEMBL15218250 0.84 CA12 (0.51) CA12CA1CA9PTPN1HPGD
SCHEMBL28838990 0.83 CA12 (0.50) CA12CA1CA9HPGDHTT
SCHEMBL5638579 0.82 CA12 (0.57) CA12CA1CA9HPGDHTT
SCHEMBL10346036 0.82 CA12 (0.57) CA12CA1CA9TDP1ALDH1A1
SCHEMBL1332078 0.81 CA12 (0.56) CA12CA1CA9TDP1ALDH1A1
SCHEMBL13639225 0.81 CA12 (0.56) CA12CA1CA9HTTL3MBTL1
SCHEMBL8780766 0.81 CA12 (0.56) CA12CA1CA9TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816475-B2 Aminoalkoxystyrene, process for preparation thereof, polymer thereof, process for producing the polymer and use thereof TOSOH CORPORATION (JP) 2010-10-19 US disclosed
EP-1829857-B1 Aminoalkoxystyrene, process for preparation thereof, polymer thereof, process for producing the polymer and use thereof TOSOH CORP (JP) 2009-11-04 EP disclosed
US-20070213490-A1 Aminoalkoxystyrene, process for preparation thereof, polymer thereof, process for producing the polymer and use thereof TOSOH CORPORATION 2007-09-13 US disclosed
EP-1829857-A1 Aminoalkoxystyrene, process for preparation thereof, polymer thereof, process for producing the polymer and use thereof Tosoh Corporation (JP) 2007-09-05 EP disclosed