SCHEMBL7311787

SCHEMBL7311787

CN1CCC(CC(=O)NOC(C)(C)C)(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 13/20 0.56
MMP13 P45452 14/20 0.46
MMP9 P14780 10/20 0.46
MMP14 P50281 2/20 0.46
ADAM17 P78536 7/20 0.46
MMP2 P08253 7/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MMP3 P08254 4/20 0.43
MMP10 P09238 1/20 0.43
MMP8 P22894 2/20 0.41
ADAMTS4 O75173 1/20 0.40
MMP7 P09237 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL7301052 0.90 MMP1 (0.54) MMP1MMP13MMP9MMP14ADAM17
SCHEMBL8521085 0.89 MMP1 (0.53) MMP1MMP13MMP9MMP14ADAM17
SCHEMBL7303375 0.89 MMP1 (0.59) MMP1MMP13MMP9MMP14MMP2
SCHEMBL7312641 0.88 MMP1 (0.52) MMP1MMP13MMP9MMP14ADAM17
SCHEMBL7303077 0.87 MMP1 (0.72) MMP1MMP13MMP9MMP14ADAM17
SCHEMBL7308944 0.87 MMP1 (0.51) MMP1MMP13MMP9MMP14ADAM17
SCHEMBL7308080 0.87 MMP1 (0.75) MMP1MMP13MMP9MMP14MMP2
SCHEMBL7311728 0.86 MMP1 (0.50) MMP1MMP13MMP9MMP14ADAM17
SCHEMBL7301370 0.85 MMP1 (0.49) MMP1MMP13MMP9MMP14ADAM17
SCHEMBL7311279 0.82 MMP1 (0.56) MMP1MMP13MMP9MMP14ADAM17

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