SCHEMBL7307600

SCHEMBL7307600

CC(C)(C)ONC(=O)C1CC(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 14/20 0.46
MMP2 P08253 14/20 0.46
MMP1 P03956 9/20 0.46
MMP9 P14780 6/20 0.46
MMP3 P08254 3/20 0.46
MMP14 P50281 3/20 0.43
MMP7 P09237 2/20 0.43
MMP8 P22894 2/20 0.43
ADAM17 P78536 2/20 0.43

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
SCHEMBL7312101 0.82 MMP13 (0.44) MMP13MMP2MMP1MMP9MMP3
SCHEMBL7310800 0.78 MMP2 (0.46) MMP13MMP2MMP1MMP9MMP3
SCHEMBL7308050 0.78 MMP1 (0.46) MMP13MMP2MMP1MMP9MMP3
SCHEMBL7308960 0.72 MMP13 (0.42) MMP13MMP2MMP1MMP9MMP3
SCHEMBL7310773 0.71 MMP1 (0.41) MMP13MMP2MMP1MMP9MMP3
SCHEMBL12020262 0.70 MMP2 (0.69) MMP13MMP2MMP1MMP9MMP3
SCHEMBL7308959 0.68 MMP13 (0.58) MMP13MMP2MMP1
SCHEMBL7308976 0.68 MMP13 (0.58) MMP13MMP2MMP1
SCHEMBL7308292 0.66 MMP13 (0.61) MMP13MMP2MMP1MMP9MMP3
SCHEMBL6796941 0.66 MMP3 (0.56) MMP13MMP2MMP1MMP9MMP3

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-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
US-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 US disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed