SCHEMBL3124305

SCHEMBL3124305

CCCCOC(=O)C(NS(=O)(=O)c1ccc2c(c1)oc1ccc(-c3nccs3)cc12)C(C)C

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 20/20 0.75
MMP13 P45452 5/20 0.75
MMP2 P08253 1/20 0.75
MMP3 P08254 1/20 0.75
MMP7 P09237 1/20 0.75
MMP9 P14780 1/20 0.75
MMP8 P22894 1/20 0.75

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
SCHEMBL3088727 0.86 MMP12 (0.79) MMP12MMP13MMP2MMP3MMP7
SCHEMBL3088730 0.86 MMP12 (0.79) MMP12MMP13MMP2MMP3MMP7
SCHEMBL3084023 0.86 MMP12 (0.78) MMP12MMP13MMP2MMP3MMP7
SCHEMBL3084022 0.86 MMP12 (0.78) MMP12MMP13MMP2MMP3MMP7
SCHEMBL3081114 0.86 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP7
SCHEMBL3118632 0.83 MMP12 (0.53) MMP12MMP13MMP2MMP3MMP7
SCHEMBL3079485 0.83 MMP12 (0.93) MMP12MMP13MMP2MMP3MMP7
SCHEMBL3078021 0.81 MMP12 (0.91) MMP12MMP13MMP2MMP3MMP7
SCHEMBL4013118 0.80 MMP12 (0.63) MMP12MMP13MMP2MMP3MMP9
SCHEMBL3087989 0.77 MMP12 (0.65) MMP12MMP13MMP2MMP3MMP7

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-2144893-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2010-01-20 EP disclosed
WO-2008137816-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH (US) 2008-11-13 WO disclosed