SCHEMBL9522957

SCHEMBL9522957

Cc1ccc(S(=O)(=O)OC(C)C(=O)C(C)OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP13 P45452 2/20 0.41
MMP8 P22894 1/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL1869422 0.87 MMP9 (0.45) GAACA1CA2MMP1MMP2
SCHEMBL2325722 0.87 MMP9 (0.45) GAACA1CA2MMP1MMP2
SCHEMBL10806036 0.87 GAA (0.42) GAACA1CA2MMP1MMP2
SCHEMBL4372757 0.87 MMP9 (0.45) GAACA1CA2MMP1MMP2
SCHEMBL3089042 0.86 KMT2A (0.49) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL20337177 0.86 ALDH1A1 (0.46) GAACA1CA2MMP1MMP2
SCHEMBL5099703 0.86 GAA (0.41) GAACA1CA2MMP1MMP2
Hydrochloric Acid SCHEMBL10860616 0.86 MMP9 (0.44) GAACA1CA2MMP1MMP2
SCHEMBL28597130 0.86 TAS1R3 (0.41) GAACA1CA2MMP1MMP2
SCHEMBL9594005 0.86 GAA (0.41) GAACA1CA2MMP1MMP2

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-0332387-B1 Triazole derivatives, their preparation and their use as fungicides SANKYO CO (JP) 1993-11-24 EP disclosed