SCHEMBL4784669

SCHEMBL4784669

COc1cccc(OC2CCN(S(=O)(=O)CC3(C)NC(=O)NC3=O)CC2)c1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.77
MMP14 P50281 8/20 0.70
MMP12 P39900 5/20 0.70
KCNH2 Q12809 1/20 0.64

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
SCHEMBL940885 1.00 MMP13 (0.77) MMP13MMP14MMP12KCNH2
SCHEMBL942026 0.90 MMP13 (0.85) MMP13MMP14MMP12KCNH2
SCHEMBL4779687 0.90 MMP13 (0.85) MMP13MMP14MMP12KCNH2
SCHEMBL941182 0.89 MMP13 (0.78) MMP13MMP14MMP12KCNH2
SCHEMBL4785010 0.89 MMP13 (0.78) MMP13MMP14MMP12KCNH2
SCHEMBL942378 0.89 MMP13 (0.78) MMP13MMP14MMP12KCNH2
SCHEMBL941464 0.89 MMP13 (0.81) MMP13MMP14MMP12KCNH2
SCHEMBL942359 0.89 MMP13 (0.82) MMP13MMP14MMP12KCNH2
SCHEMBL943609 0.87 MMP13 (0.80) MMP13MMP14MMP12
SCHEMBL12911600 0.87 MMP13 (0.72) MMP13MMP14MMP12KCNH2

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-2008053199-A1 COMBINATION THERAPY FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2008-05-08 WO disclosed