SCHEMBL8422729

SCHEMBL8422729

CNC(=O)[C@H](NC(=O)N(O)C(=O)[C@@H](O)CCCCc1ccccc1)C(C)(C)[S+]([O-])Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 0.43
MMP3 P08254 13/20 0.43
MMP1 P03956 7/20 0.41
MMP9 P14780 4/20 0.41
MMP14 P50281 2/20 0.41
MMP13 P45452 2/20 0.37
MMP8 P22894 2/20 0.37
MMP12 P39900 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
SCHEMBL8189744 0.89 MMP1 (0.40) MMP2MMP3MMP1MMP9MMP14
SCHEMBL8197265 0.81 MMP2 (0.45) MMP2MMP3MMP1MMP9MMP14
SCHEMBL8200999 0.79 MMP1 (0.36) MMP2MMP3MMP1MMP9MMP13
SCHEMBL8424487 0.78 MMP2 (0.41) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6435497 0.72 MMP2 (0.38) MMP2MMP3MMP1MMP9MMP14
SCHEMBL7625425 0.71 MMP3 (0.55) MMP2MMP3MMP1MMP9MMP14
SCHEMBL8197867 0.70 MMP3 (0.38) MMP2MMP3MMP1MMP9MMP13
SCHEMBL8197269 0.70 MMP1 (0.42) MMP2MMP3MMP1MMP9MMP14
SCHEMBL8197822 0.70 MMP1 (0.42) MMP2MMP3MMP1MMP9MMP14
SCHEMBL7595847 0.68 MMP1 (0.44) MMP2MMP3MMP1MMP9MMP14

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-0740655-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 1999-10-20 EP claimed