SCHEMBL8422672

SCHEMBL8422672

CNC(=O)[C@H](NC(=O)N(O)C(=O)[C@@H](O)CCC(C)C)C(C)(C)SCc1ccc(OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
MMP1 P03956 13/20 0.37
MMP3 P08254 8/20 0.37
MMP2 P08253 5/20 0.37
ACE P12821 1/20 0.36
MMP13 P45452 4/20 0.36
MMP9 P14780 3/20 0.36
ADAM17 P78536 2/20 0.35
TNF P01375 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MMP7 P09237 1/20 0.35
MMP8 P22894 1/20 0.35
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35

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
SCHEMBL8198210 0.85 GAA (0.39) GAAMMP1MMP3MMP2ACE
SCHEMBL8200999 0.82 MMP1 (0.36) MMP1MMP3MMP2MMP13MMP9
SCHEMBL8197789 0.81 MMP2 (0.39) MMP1MMP3MMP2ACEMMP13
SCHEMBL8198199 0.78 ADAM17 (0.34) MMP1MMP3MMP2MMP13MMP9
SCHEMBL8197265 0.78 MMP2 (0.45) MMP1MMP3MMP2MMP13MMP9
SCHEMBL8190215 0.76 MMP1 (0.40) MMP1MMP3MMP2ACEMMP13
SCHEMBL9010562 0.76 ADAM17 (0.34) MMP1MMP3MMP2MMP13MMP9
SCHEMBL7406988 0.76 MMP1 (0.43) GAAMMP1MMP3MMP2MMP9
SCHEMBL7513209 0.75 MMP1 (0.44) MMP1MMP3MMP2MMP13MMP9
SCHEMBL9010548 0.75 ADAM17 (0.33) MMP1MMP3MMP2MMP13MMP9

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