SCHEMBL7307783

SCHEMBL7307783

CC(C)CN1CCC(CC(=O)NO)(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 17/20 0.66
MMP13 P45452 15/20 0.48
MMP9 P14780 11/20 0.48
MMP2 P08253 10/20 0.48
MMP14 P50281 6/20 0.48
MMP3 P08254 6/20 0.48
MMP8 P22894 5/20 0.48
ADAM17 P78536 7/20 0.48
ADAMTS4 O75173 2/20 0.48
ADAMTS5 Q9UNA0 2/20 0.48
MMP7 P09237 1/20 0.48
CYP2D6 P10635 1/20 0.46
MEP1B Q16820 1/20 0.45

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
SCHEMBL7301736 0.89 MMP1 (0.70) MMP1MMP13MMP9MMP2MMP14
SCHEMBL7312641 0.89 MMP1 (0.52) MMP1MMP13MMP9MMP2MMP14
SCHEMBL7303077 0.86 MMP1 (0.72) MMP1MMP13MMP9MMP2MMP14
SCHEMBL7311291 0.84 MMP1 (0.64) MMP1MMP13MMP9MMP2MMP14
SCHEMBL7299271 0.84 MMP1 (0.66) MMP1MMP13MMP9MMP2MMP14
SCHEMBL7311958 0.83 MMP1 (0.63) MMP1MMP13MMP9MMP2MMP14
SCHEMBL7309090 0.83 MMP1 (0.80) MMP1MMP13MMP9MMP2MMP14
SCHEMBL7301387 0.82 MMP1 (0.79) MMP1MMP13MMP9MMP2MMP14
SCHEMBL7308211 0.80 MMP1 (0.76) MMP1MMP13MMP9MMP2MMP14
SCHEMBL7307897 0.80 MMP1 (1.00) MMP1MMP13MMP9MMP2MMP14

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