SCHEMBL7358588

SCHEMBL7358588

CC(C)(CNC(=O)O)CS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 16/20 0.62
MMP2 P08253 11/20 0.62
MMP1 P03956 7/20 0.62
MMP9 P14780 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL7365907 0.88 MMP2 (0.48) MMP13MMP2MMP1MMP9
Hydrochloric Acid SCHEMBL7751277 0.79 MMP13 (0.62) MMP13MMP2MMP1SMN1; SMN2
SCHEMBL6767563 0.76 MMP13 (0.77) MMP13MMP2MMP1
SCHEMBL6769491 0.76 MMP13 (0.77) MMP13MMP2MMP1
SCHEMBL6767568 0.76 MMP13 (0.77) MMP13MMP2MMP1
SCHEMBL7358585 0.74 MMP13 (0.53) MMP13MMP2MMP1MMP9HTT
SCHEMBL7690204 0.73 MMP13 (0.65) MMP13MMP2MMP1MMP9
SCHEMBL7690202 0.73 MMP13 (0.65) MMP13MMP2MMP1MMP9
SCHEMBL7683904 0.73 MMP13 (0.65) MMP13MMP2MMP1MMP9
SCHEMBL7748825 0.72 MMP13 (0.60) MMP13MMP2MMP1MMP9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235786-B1 RHEUMATIC DISORDERS; BONE DISORDERS; ORAL DISEASES; ANTIULCER AGENTS; ANTITUMOR AGENTS ABBOTT LABORATORIES 2001-05-22 US claimed
WO-2000044712-A1 N-HYDROXYFORMAMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 2000-08-03 WO claimed
US-6235786-B1 RHEUMATIC DISORDERS; BONE DISORDERS; ORAL DISEASES; ANTIULCER AGENTS; ANTITUMOR AGENTS ABBOTT LABORATORIES 2001-05-22 US disclosed