SCHEMBL7550935

SCHEMBL7550935

COc1ccc(-c2ccc(S(=O)(=O)CC(C)N(C=O)OCc3ccccc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 8/20 0.43
MMP1 P03956 4/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
MMP2 P08253 6/20 0.42
MMP9 P14780 4/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
ADAMTS4 O75173 2/20 0.42
MMP3 P08254 5/20 0.42
MMP8 P22894 2/20 0.42
MMP12 P39900 2/20 0.42
MMP14 P50281 2/20 0.42
MMP16 P51512 2/20 0.42
KEAP1 Q14145 5/20 0.40
NFE2L2 Q16236 3/20 0.40
PTGES O14684 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
TAS2R8 Q9NYW2 1/20 0.39

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
SCHEMBL7446620 0.79 MMP1 (0.51) MMP13MMP1MMP2MMP9MMP3
SCHEMBL7511347 0.76 ALDH1A1 (0.50) MMP13MMP1ALDH1A1POLBMMP2
SCHEMBL5268183 0.71 ALDH1A1 (0.40) ALDH1A1
SCHEMBL27744904 0.71 ALDH1A1 (0.40) ALDH1A1
SCHEMBL8601705 0.71 MMP13 (0.49) MMP13MMP1ALDH1A1MMP2MMP9
SCHEMBL8601707 0.71 MMP13 (0.49) MMP13MMP1ALDH1A1MMP2MMP9
SCHEMBL7451162 0.70 MMP9 (0.54) MMP13MMP1MMP2MMP9
SCHEMBL7504494 0.70 MMP9 (0.54) MMP13MMP1MMP2MMP9
SCHEMBL7862144 0.70 MMP13 (0.48) MMP13MMP1ALDH1A1MMP2MMP9
SCHEMBL28010685 0.69 POLB (0.43) ALDH1A1POLB

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
EP-1001930-B1 N-HYDROXYFORMAMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LAB (US) 2002-12-04 EP disclosed
US-6294573-B1 FOR THERAPY RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR GROWTH AND METASTASIS OR INVASION ABBOTT LABORATORIES 2001-09-25 US disclosed
US-6235786-B1 RHEUMATIC DISORDERS; BONE DISORDERS; ORAL DISEASES; ANTIULCER AGENTS; ANTITUMOR AGENTS ABBOTT LABORATORIES 2001-05-22 US disclosed