SCHEMBL7069869

SCHEMBL7069869

CNC(=S)[C@H](CC1CCCCC1)N(O)C(=O)[C@@H](CC(=O)NO)CC(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 13/20 0.47
MMP1 P03956 10/20 0.47
MMP2 P08253 8/20 0.47
MMP9 P14780 6/20 0.47
MMP14 P50281 3/20 0.47
LTA4H P09960 2/20 0.45
MMP8 P22894 3/20 0.39
MMP13 P45452 1/20 0.37
ADAM17 P78536 1/20 0.37

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
SCHEMBL7072801 0.74 MMP2 (0.56) MMP3MMP1MMP2MMP9MMP14
SCHEMBL7073422 0.74 MMP2 (0.50) MMP3MMP1MMP2MMP9MMP14
SCHEMBL7068205 0.70 MMP3 (0.47) MMP3MMP1MMP2
SCHEMBL9067396 0.67 MMP1 (0.51) MMP3MMP1MMP2MMP9MMP14
SCHEMBL9284470 0.65 MMP2 (1.00) MMP3MMP1MMP2MMP9MMP14
SCHEMBL21008679 0.65 LTA4H (0.56) MMP3MMP1MMP2MMP9MMP14
SCHEMBL7980261 0.63 MMP2 (0.57) MMP3MMP1MMP2MMP9MMP14
SCHEMBL8872686 0.63 MMP2 (0.76) MMP3MMP1MMP2MMP9MMP14
SCHEMBL219929 0.62 LTA4H (1.00) MMP3MMP1MMP2MMP9MMP14
SCHEMBL219930 0.62 LTA4H (1.00) MMP3MMP1MMP2MMP9MMP14

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
EP-1060161-B1 MATRIX METALLOPROTEINASE INHIBITORS LEO PHARMA AS WITH SECONDARY N (DK) 2003-06-11 EP disclosed