SCHEMBL9660869

SCHEMBL9660869

CCCOc1ccc(S(=O)(=O)c2ccc(O)c(CCC)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.54
CA1 P00915 4/20 0.54
CA9 Q16790 4/20 0.54
CA12 O43570 3/20 0.54
CA7 P43166 3/20 0.54
TSHR P16473 3/20 0.47
POLB P06746 2/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 4/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
GAA P10253 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SLC5A1 P13866 1/20 0.42
SLC5A2 P31639 1/20 0.42
LTA4H P09960 1/20 0.42

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
SCHEMBL9662441 0.95 CA12 (0.54) CA2CA1CA9CA12CA7
SCHEMBL9662376 0.92 CA2 (0.56) CA2CA1CA9CA12CA7
SCHEMBL9661612 0.87 CA2 (0.46) CA2CA1CA9CA12CA7
SCHEMBL9661527 0.86 POLB (0.44) CA2CA1CA9CA12CA7
SCHEMBL4899940 0.85 POLB (0.57) CA2POLBMAPTGAA
SCHEMBL29599655 0.85 POLB (0.57) CA2POLBMAPTGAA
SCHEMBL7179931 0.83 CA12 (0.56) CA2CA1CA9CA12CA7
SCHEMBL9661565 0.82 POLB (0.52) CA2CA1POLBALDH1A1LMNA
SCHEMBL931816 0.81 CA12 (0.72) CA2CA1CA9CA12CA7
SCHEMBL6900466 0.81 CA12 (0.72) CA2CA1CA9CA12CA7

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
EP-0466096-A1 Derivatives of 4-hydroxyphenylsulfone JUJO PAPER CO., LTD. (JP) 1992-01-15 EP disclosed