SCHEMBL4012045

SCHEMBL4012045

COc1ccc(-c2ccc3oc4cc(S(=O)(=O)NC(C(=O)OC(C)(C)C)C(C)C)ccc4c3c2)cn1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 20/20 0.55
MMP13 P45452 3/20 0.53
MMP2 P08253 2/20 0.53
MMP3 P08254 2/20 0.53
MMP9 P14780 2/20 0.53
MMP7 P09237 1/20 0.53
MMP8 P22894 1/20 0.53
MMP14 P50281 1/20 0.50

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
SCHEMBL4012049 1.00 MMP12 (0.55) MMP12MMP13MMP2MMP3MMP9
SCHEMBL3088206 0.89 MMP12 (0.67) MMP12MMP13MMP2MMP3MMP9
SCHEMBL3072855 0.86 MMP12 (0.56) MMP12MMP13MMP2MMP3MMP9
SCHEMBL3072856 0.86 MMP12 (0.56) MMP12MMP13MMP2MMP3MMP9
SCHEMBL3082066 0.85 MMP12 (0.63) MMP12MMP13MMP2MMP3MMP9
SCHEMBL3088730 0.82 MMP12 (0.79) MMP12MMP13MMP2MMP3MMP9
SCHEMBL3088727 0.82 MMP12 (0.79) MMP12MMP13MMP2MMP3MMP9
SCHEMBL7248189 0.82 MMP12 (0.61) MMP12MMP13MMP2MMP3MMP9
SCHEMBL3091729 0.82 MMP12 (0.59) MMP12MMP13MMP2MMP3MMP9
SCHEMBL3083198 0.82 MMP12 (0.59) MMP12MMP13MMP2MMP3MMP9

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-2074107-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-07-01 EP disclosed
WO-2008057254-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH (US) 2008-05-15 WO disclosed