SCHEMBL13671024

SCHEMBL13671024

C=COCCOc1ccc(S(=O)(=O)OCC)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.48
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA9 Q16790 5/20 0.43
CA2 P00918 4/20 0.43
CA7 P43166 4/20 0.43
TSHR P16473 2/20 0.43
GAA P10253 3/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 2/20 0.38
PTPN2 P17706 1/20 0.36
PTPN11 Q06124 1/20 0.36

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
SCHEMBL4866300 0.85 CA12 (0.41) PTPN1CA12CA1CA9CA2
SCHEMBL4131884 0.81 ALDH1A1 (0.47) CA12CA1CA9CA2CA7
SCHEMBL4868644 0.78 TDP1 (0.46) CA12CA1CA9CA2CA7
SCHEMBL4355604 0.78 CA12 (0.42) PTPN1CA12CA1CA9CA2
SCHEMBL939924 0.78 CA12 (0.42) PTPN1CA12CA1CA9CA2
SCHEMBL24593452 0.78 CA12 (0.39) PTPN1CA12CA1CA9CA2
SCHEMBL939926 0.77 TDP1 (0.44) CA12CA1CA9CA2CA7
SCHEMBL4355608 0.77 TDP1 (0.44) CA12CA1CA9CA2CA7
SCHEMBL419937 0.77 THRB (0.41) MAPK1L3MBTL1RECQLTDP1ALDH1A1
SCHEMBL3919028 0.76 CA12 (0.40) CA12CA1CA9CA2CA7

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-7598332-B2 Polymerizable compound, polymer compound, composition using the same, image-forming method, and image-forming apparatus CANON KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed