SCHEMBL3266046

SCHEMBL3266046

CC(C)C(NS(=O)(=O)c1ccc2c(c1)sc1ccc(-c3cccnc3)cc12)(C(=O)O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 13/20 0.40
MMP13 P45452 8/20 0.40
DYRK1A Q13627 3/20 0.38
ADAMTS4 O75173 1/20 0.37
HTR6 P50406 1/20 0.37
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36

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
SCHEMBL3264181 0.83 MMP12 (0.47) MMP12MMP13
SCHEMBL3065992 0.80 MMP12 (0.64) MMP12MMP13
SCHEMBL3079850 0.80 MMP12 (0.49) MMP12MMP13
SCHEMBL3116953 0.80 MMP12 (0.49) MMP12MMP13
SCHEMBL3266042 0.79 MMP12 (0.50) MMP12MMP13
SCHEMBL8092743 0.76 MMP12 (0.52) MMP12MMP13ADAMTS4
SCHEMBL3077657 0.69 MMP12 (0.66) MMP12MMP13
SCHEMBL3077987 0.66 MMP12 (0.62) MMP12MMP13
SCHEMBL22780062 0.66 CYP11B1 (0.51) DYRK1APIK3CA
SCHEMBL16923069 0.66 CYP2A6 (0.52) DYRK1APIK3CA

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