SCHEMBL4016495

SCHEMBL4016495

CC(C)C(NS(=O)(=O)c1ccc2c(c1)oc1cc([N+](=O)[O-])ccc12)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 19/20 0.71
MMP13 P45452 15/20 0.71
MMP2 P08253 2/20 0.64
MMP3 P08254 2/20 0.64
MMP9 P14780 2/20 0.64
MMP1 P03956 1/20 0.64
MMP7 P09237 1/20 0.64
MMP14 P50281 1/20 0.61

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
SCHEMBL4016816 1.00 MMP12 (0.71) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4009663 1.00 MMP12 (0.71) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4016500 1.00 MMP12 (0.71) MMP12MMP13MMP2MMP3MMP9
SCHEMBL3084342 0.95 MMP12 (0.71) MMP12MMP13MMP2MMP3MMP9
SCHEMBL3084335 0.95 MMP12 (0.71) MMP12MMP13MMP2MMP3MMP9
SCHEMBL3085725 0.95 MMP12 (0.68) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4010713 0.86 MMP12 (0.58) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4014730 0.86 MMP12 (0.53) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4014733 0.86 MMP12 (0.53) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4016588 0.84 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