SCHEMBL7303375

SCHEMBL7303375

CC(C)(C)ONC(=O)CC1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.59
MMP13 P45452 13/20 0.47
MMP2 P08253 11/20 0.47
MMP3 P08254 2/20 0.43
MMP9 P14780 2/20 0.43
MMP8 P22894 2/20 0.43
MMP14 P50281 3/20 0.40
ADAMTS4 O75173 2/20 0.40
ADAMTS5 Q9UNA0 2/20 0.40
MEP1B Q16820 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
LTA4H P09960 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL7308080 0.89 MMP1 (0.75) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7311787 0.89 MMP1 (0.56) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7301052 0.87 MMP1 (0.54) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7304471 0.86 MMP13 (0.45) MMP1MMP13MMP2MMP3MMP9
SCHEMBL8521085 0.86 MMP1 (0.53) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7301387 0.85 MMP1 (0.79) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7312641 0.84 MMP1 (0.52) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7309090 0.84 MMP1 (0.80) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7308944 0.83 MMP1 (0.51) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7311728 0.83 MMP1 (0.50) MMP1MMP13MMP2MMP3MMP9

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