SCHEMBL7301370

SCHEMBL7301370

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.49
LMNA P02545 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 1/20 0.45
MMP13 P45452 9/20 0.42
MMP2 P08253 5/20 0.42
MMP9 P14780 8/20 0.41
ADAM17 P78536 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
APP P05067 1/20 0.40
GAA P10253 1/20 0.40
MMP14 P50281 4/20 0.40
MMP3 P08254 3/20 0.40
MMP8 P22894 3/20 0.40
ADAMTS4 O75173 1/20 0.40
MMP7 P09237 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 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
SCHEMBL7311958 0.89 MMP1 (0.63) MMP1LMNAALDH1A1MAPTMMP13
SCHEMBL7301052 0.89 MMP1 (0.54) MMP1MMP13MMP2MMP9ADAM17
SCHEMBL7311728 0.87 MMP1 (0.50) MMP1LMNAALDH1A1MAPTMMP13
SCHEMBL7311787 0.85 MMP1 (0.56) MMP1LMNAALDH1A1MMP13MMP2
SCHEMBL7312641 0.85 MMP1 (0.52) MMP1MMP13MMP2MMP9ADAM17
SCHEMBL7308944 0.84 MMP1 (0.51) MMP1LMNAALDH1A1MMP13MMP2
SCHEMBL8521085 0.83 MMP1 (0.53) MMP1MMP13MMP2MMP9ADAM17
SCHEMBL7303375 0.82 MMP1 (0.59) MMP1LMNAALDH1A1MMP13MMP2
SCHEMBL7308080 0.80 MMP1 (0.75) MMP1LMNAALDH1A1MMP13MMP2
SCHEMBL7311279 0.80 MMP1 (0.56) MMP1ALDH1A1MAPTMMP13MMP2

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