SCHEMBL7013880

SCHEMBL7013880

CC(C)(C)C(CCC1(CS(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)NC(=O)NC1=O)NC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.47
MMP13 P45452 18/20 0.44
MMP12 P39900 5/20 0.44
FPR2 P25090 1/20 0.41
PROKR1 Q8TCW9 1/20 0.41
MMP14 P50281 11/20 0.39
KCNH2 Q12809 1/20 0.38

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
SCHEMBL943704 0.83 MMP13 (0.54) MMP1MMP13MMP12FPR2PROKR1
SCHEMBL940675 0.81 MMP13 (0.44) MMP1MMP13MMP12FPR2PROKR1
SCHEMBL941666 0.81 MMP13 (0.55) MMP1MMP13MMP12FPR2PROKR1
SCHEMBL942210 0.81 MMP13 (0.49) MMP1MMP13MMP12FPR2PROKR1
SCHEMBL940856 0.81 MMP13 (0.53) MMP1MMP13MMP12FPR2PROKR1
Trifluoroacetic Acid SCHEMBL942607 0.80 MMP13 (0.44) MMP1MMP13MMP12FPR2PROKR1
SCHEMBL940710 0.80 MMP13 (0.49) MMP1MMP13MMP12FPR2PROKR1
SCHEMBL941944 0.79 MMP13 (0.49) MMP1MMP13MMP12FPR2PROKR1
SCHEMBL7013882 0.79 MMP1 (0.46) MMP1MMP13MMP12FPR2PROKR1
SCHEMBL940657 0.79 MMP13 (0.50) MMP1MMP13MMP12FPR2PROKR1

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-1370536-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
WO-2002074750-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed