SCHEMBL8091072

SCHEMBL8091072

CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(N)cc12)C(=O)C(C)(C)C

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 20/20 0.70
MMP13 P45452 14/20 0.70
MMP2 P08253 1/20 0.58
MMP3 P08254 1/20 0.58
MMP9 P14780 1/20 0.58
MMP14 P50281 1/20 0.58

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
SCHEMBL13144503 1.00 MMP12 (0.70) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4013291 0.88 MMP12 (0.89) MMP12MMP13MMP2MMP3MMP9
SCHEMBL3085334 0.88 MMP12 (0.89) MMP12MMP13MMP2MMP3MMP9
SCHEMBL3080872 0.87 MMP12 (0.66) MMP12MMP13MMP2MMP3MMP9
SCHEMBL3080871 0.87 MMP12 (0.66) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4009453 0.86 MMP12 (0.71) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4009457 0.86 MMP12 (0.71) MMP12MMP13MMP2MMP3MMP9
SCHEMBL13144502 0.85 MMP12 (0.56) MMP12MMP13MMP2MMP3MMP9
SCHEMBL3098324 0.84 MMP12 (0.89) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4014961 0.84 MMP12 (0.89) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008137816-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH (US) 2008-11-13 WO disclosed