SCHEMBL7301052

SCHEMBL7301052

CCN1CCC(CC(=O)NOC(C)(C)C)(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 17/20 0.54
MMP13 P45452 16/20 0.49
MMP9 P14780 13/20 0.49
MMP2 P08253 8/20 0.49
MMP3 P08254 5/20 0.49
MMP8 P22894 4/20 0.49
MMP14 P50281 3/20 0.49
ADAM17 P78536 8/20 0.49
ADAMTS4 O75173 1/20 0.43
MMP7 P09237 1/20 0.43
ADAMTS5 Q9UNA0 1/20 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
SCHEMBL7311787 0.90 MMP1 (0.56) MMP1MMP13MMP9MMP2MMP3
SCHEMBL7312641 0.90 MMP1 (0.52) MMP1MMP13MMP9MMP2MMP3
SCHEMBL7301370 0.89 MMP1 (0.49) MMP1MMP13MMP9MMP2MMP3
SCHEMBL7308944 0.89 MMP1 (0.51) MMP1MMP13MMP9MMP2MMP3
SCHEMBL7311728 0.88 MMP1 (0.50) MMP1MMP13MMP9MMP2MMP3
SCHEMBL7301736 0.88 MMP1 (0.70) MMP1MMP13MMP9MMP2MMP3
SCHEMBL8521085 0.87 MMP1 (0.53) MMP1MMP13MMP9MMP2MMP3
SCHEMBL7303375 0.87 MMP1 (0.59) MMP1MMP13MMP9MMP2MMP3
SCHEMBL7308080 0.85 MMP1 (0.75) MMP1MMP13MMP9MMP2MMP3
SCHEMBL7311279 0.84 MMP1 (0.56) MMP1MMP13MMP9MMP2MMP3

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-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed