SCHEMBL7365907

SCHEMBL7365907

CC(C)(CNC(=O)O)CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 17/20 0.48
MMP1 P03956 9/20 0.48
MMP13 P45452 8/20 0.48
TP53 P04637 1/20 0.47
MMP9 P14780 10/20 0.47
MMP14 P50281 1/20 0.47
MMP3 P08254 1/20 0.45

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
SCHEMBL7358588 0.88 MMP13 (0.62) MMP2MMP1MMP13MMP9
SCHEMBL8005756 0.83 MMP2 (0.50) MMP2MMP1MMP13TP53MMP9
SCHEMBL8001932 0.75 MMP2 (0.52) MMP2MMP1MMP13TP53MMP9
SCHEMBL7365905 0.75 MMP9 (0.57) MMP2MMP1MMP9
SCHEMBL8005755 0.72 MMP9 (0.59) MMP2MMP1MMP13MMP9MMP3
SCHEMBL7991334 0.72 MMP2 (0.40) MMP2MMP1MMP13TP53MMP9
SCHEMBL8000462 0.72 MMP2 (0.52) MMP2MMP1MMP13MMP9MMP14
SCHEMBL7539100 0.71 MMP2 (0.50) MMP2MMP1MMP13TP53MMP9
SCHEMBL7356347 0.70 MMP9 (0.45) MMP2MMP1MMP13TP53MMP9
SCHEMBL14572900 0.70 MMP2 (0.55) MMP2MMP1MMP13TP53MMP9

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 4 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
WO-2000044712-A1 N-HYDROXYFORMAMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 2000-08-03 WO disclosed