SCHEMBL4010084

SCHEMBL4010084

CC1(CS(=O)(=O)N2CC=C(C#CC3CCCCC3)CC2)NC(=O)NC1=O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.44
MMP12 P39900 5/20 0.44
MMP14 P50281 9/20 0.43
KCNH2 Q12809 1/20 0.41

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
SCHEMBL3929411 0.90 MMP13 (0.43) MMP13MMP12MMP14KCNH2
SCHEMBL4009583 0.83 MMP13 (0.44) MMP13MMP12MMP14
SCHEMBL2292206 0.83 MMP13 (0.44) MMP13MMP12MMP14
SCHEMBL2286337 0.81 MMP13 (0.45) MMP13MMP12MMP14KCNH2
SCHEMBL2879232 0.81 MMP13 (0.45) MMP13MMP12MMP14KCNH2
SCHEMBL942669 0.79 MMP13 (0.44) MMP13MMP12MMP14
SCHEMBL6835855 0.79 MMP13 (0.44) MMP13MMP12MMP14
SCHEMBL5241324 0.79 MMP13 (0.44) MMP13MMP12MMP14
SCHEMBL2287095 0.79 MMP13 (0.44) MMP13MMP12MMP14
SCHEMBL940852 0.78 MMP13 (0.53) MMP13MMP12MMP14

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-2009007747-A2 HYDANTOIN DERIVATIVES USED AS MMP12 INHIBITORS ASTRAZENECA AB (SE) 2009-01-15 WO claimed