SCHEMBL11087708

SCHEMBL11087708

CCOc1ccc(S(=O)(=O)O)cc1.[Ag]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA7 P43166 1/20 0.63
CA9 Q16790 1/20 0.63
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
NQO1 P15559 1/20 0.56
GAA P10253 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
CYP1A2 P05177 1/20 0.54
PKM P14618 1/20 0.51
MAPK1 P28482 2/20 0.50
LMNA P02545 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
YAP1 P46937 1/20 0.49
TEAD4 Q15561 1/20 0.49
TEAD2 Q15562 1/20 0.49

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
SCHEMBL755720 0.98 CA12 (0.66) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL11519194 0.96 CA12 (0.63) CA12CA1CA2CA7CA9
SCHEMBL6278422 0.92 CA12 (0.59) CA12CA1CA2CA7CA9
Methylene Chloride SCHEMBL28109052 0.91 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL10412880 0.89 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL8876368 0.85 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL3494901 0.82 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL4527668 0.82 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL16376096 0.82 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL15801047 0.82 KDM4E (0.61) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4489091-A ESTERASE AND ANTIBODY INHIBITORS TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1984-12-18 US disclosed
US-4411911-A Method of treating hyperlipidemia and inflammation with sulfonate derivatives TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1983-10-25 US disclosed