SCHEMBL8484845

SCHEMBL8484845

CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCOc1ccc(OC)cc1)CC(=O)NO

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 18/20 0.74
MMP3 P08254 13/20 0.74
MMP2 P08253 8/20 0.74
MMP9 P14780 6/20 0.74
MMP8 P22894 6/20 0.74
MMP7 P09237 4/20 0.74
MMP13 P45452 1/20 0.74
FCER2 P06734 1/20 0.59

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
SCHEMBL8487985 0.95 MMP1 (0.79) MMP1MMP3MMP2MMP9MMP8
SCHEMBL8484262 0.95 MMP1 (0.75) MMP1MMP3MMP2MMP9MMP8
SCHEMBL8484818 0.94 MMP3 (0.80) MMP1MMP3MMP2MMP9MMP8
SCHEMBL8486757 0.91 MMP1 (0.70) MMP1MMP3MMP2MMP9MMP8
SCHEMBL8481866 0.90 MMP3 (0.75) MMP1MMP3MMP2MMP9MMP8
SCHEMBL8482048 0.90 MMP3 (0.84) MMP1MMP3MMP2MMP9MMP8
SCHEMBL8481745 0.89 MMP2 (0.73) MMP1MMP3MMP2MMP9MMP8
SCHEMBL8484210 0.89 MMP3 (0.89) MMP1MMP3MMP2MMP9MMP8
SCHEMBL8484275 0.87 MMP3 (0.79) MMP1MMP3MMP2MMP9MMP8
SCHEMBL8485227 0.85 MMP2 (0.67) MMP1MMP3MMP2MMP9MMP8

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
US-5990158-A EXTRACELLULAR MATRIX METALLOPROTEINASES INHIBITORS; ORAL ADMINISTRATION; BIOAVAILABILITY; E.G.,N-(2-(2'-(5-METHYL-2-OXO-1,3-DIOXOL-4-YL)METHYLENE-OXY-2'-OXO-ETHYL)-5 -(4-METH-OXYPHENYL)OXY)PENTANOYL)PHENYLALANINE N-METHYLAMIDE KOTOBUKI SEIYAKU CO., LTD. (JP) 1999-11-23 US disclosed