SCHEMBL7308944

SCHEMBL7308944

CC(C)(C)ONC(=O)CC1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN(CC2CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 11/20 0.51
MMP13 P45452 10/20 0.41
MMP2 P08253 7/20 0.41
KDM2B Q8NHM5 3/20 0.41
MMP9 P14780 9/20 0.41
ADAM17 P78536 5/20 0.41
MMP3 P08254 4/20 0.41
MMP8 P22894 3/20 0.41
MMP14 P50281 3/20 0.41
ADAMTS4 O75173 1/20 0.41
MMP7 P09237 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
OPRL1 P41146 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL7313624 0.92 MMP1 (0.41) MMP1MMP13MMP2KDM2BMMP9
SCHEMBL7301752 0.92 MMP1 (0.52) MMP1MMP13MMP2MMP9ADAM17
SCHEMBL7301052 0.89 MMP1 (0.54) MMP1MMP13MMP2MMP9ADAM17
SCHEMBL7299271 0.88 MMP1 (0.66) MMP1MMP13MMP2KDM2BMMP9
SCHEMBL7311787 0.87 MMP1 (0.56) MMP1MMP13MMP2MMP9ADAM17
SCHEMBL7312641 0.86 MMP1 (0.52) MMP1MMP13MMP2MMP9ADAM17
SCHEMBL7310514 0.86 MMP1 (0.49) MMP1MMP13MMP2KDM2BMMP9
SCHEMBL7311728 0.85 MMP1 (0.50) MMP1MMP13MMP2MMP9ADAM17
SCHEMBL8521085 0.84 MMP1 (0.53) MMP1MMP13MMP2MMP9ADAM17
SCHEMBL7301370 0.84 MMP1 (0.49) MMP1MMP13MMP2MMP9ADAM17

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