SCHEMBL7207763

SCHEMBL7207763

COc1ccc(S(=O)(=O)C(C)CC(O)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 7/20 0.49
MMP13 P45452 7/20 0.49
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MMP2 P08253 6/20 0.46
MMP3 P08254 6/20 0.46
MMP9 P14780 5/20 0.46
KEAP1 Q14145 2/20 0.46
MMP8 P22894 2/20 0.46
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
NFE2L2 Q16236 1/20 0.46
MMP12 P39900 1/20 0.46
MMP14 P50281 1/20 0.46
MMP16 P51512 1/20 0.46

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
SCHEMBL7212083 0.84 MMP13 (0.49) MMP1MMP13SLC1A3SLC1A2SLC1A1
SCHEMBL7352846 0.78 MMP13 (0.60) MMP1MMP13SLC1A3SLC1A2SLC1A1
SCHEMBL7415077 0.78 MMP9 (0.53) MMP1MMP13HTTNPSR1MMP2
SCHEMBL8521710 0.77 HTT (0.58) MMP1MMP13SLC1A3SLC1A2SLC1A1
SCHEMBL9951983 0.76 MMP13 (0.58) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7207037 0.76 MMP1 (0.55) MMP1MMP13MMP2MMP3MMP9
SCHEMBL8713408 0.75 MMP1 (0.51) MMP1MMP13SLC1A3SLC1A2SLC1A1
SCHEMBL6929276 0.75 MMP1 (0.70) MMP1MMP13SLC1A3SLC1A2SLC1A1
SCHEMBL7207035 0.75 MMP1 (0.54) MMP1MMP13SLC1A3SLC1A2SLC1A1
SCHEMBL7207685 0.75 MMP13 (0.51) MMP1MMP13SLC1A3SLC1A2SLC1A1

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
EP-0939628-B1 THIOL SULFONE METALLOPROTEASE INHIBITORS MONSANTO CO (US) 2003-03-05 EP disclosed
US-6013649-A BOND DISORDERS; AUTOIMMUNE DISEASES; ANTITUMOR AGENTS MONSANTO COMPANY (US) 2000-01-11 US disclosed