SCHEMBL7311728

SCHEMBL7311728

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 9/20 0.50
MMP13 P45452 8/20 0.47
MMP2 P08253 6/20 0.47
LMNA P02545 4/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.40
MMP9 P14780 5/20 0.40
ADAM17 P78536 3/20 0.40
MMP3 P08254 3/20 0.40
MMP8 P22894 2/20 0.40
MMP14 P50281 2/20 0.40
PKM P14618 1/20 0.40
ADAMTS4 O75173 1/20 0.40
MMP7 P09237 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40

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
SCHEMBL7311291 0.89 MMP1 (0.64) MMP1MMP13MMP2LMNAGAA
SCHEMBL7301052 0.88 MMP1 (0.54) MMP1MMP13MMP2MMP9ADAM17
SCHEMBL7301370 0.87 MMP1 (0.49) MMP1MMP13MMP2LMNAGAA
SCHEMBL7311787 0.86 MMP1 (0.56) MMP1MMP13MMP2LMNAGAA
SCHEMBL7312641 0.85 MMP1 (0.52) MMP1MMP13MMP2MMP9ADAM17
SCHEMBL7308944 0.85 MMP1 (0.51) MMP1MMP13MMP2LMNASMN1; SMN2
SCHEMBL8521085 0.83 MMP1 (0.53) MMP1MMP13MMP2MMP9ADAM17
SCHEMBL7303375 0.83 MMP1 (0.59) MMP1MMP13MMP2LMNAALDH1A1
SCHEMBL7308080 0.81 MMP1 (0.75) MMP1MMP13MMP2LMNASMN1; SMN2
SCHEMBL7311279 0.80 MMP1 (0.56) MMP1MMP13MMP2ALDH1A1MEN1

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