SCHEMBL8388142

SCHEMBL8388142

CC(=O)SC(CCCN1C(=O)c2ccccc2C1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cscn1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.46
MMP3 P08254 11/20 0.40
MMP1 P03956 8/20 0.40
MMP9 P14780 7/20 0.40
MMP2 P08253 6/20 0.40
MMP7 P09237 2/20 0.40
MMP14 P50281 2/20 0.40
REN P00797 2/20 0.39
NPC1 O15118 1/20 0.38
SCN9A Q15858 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
SCHEMBL6414560 0.93 MMP3 (0.46) PSMB5MMP3MMP1MMP9MMP2
SCHEMBL8385714 0.89 PSMB5 (0.46) PSMB5MMP3MMP1MMP9MMP2
SCHEMBL8385864 0.88 MMP3 (0.42) MMP3MMP1MMP9MMP2MMP7
SCHEMBL7419821 0.86 MMP3 (0.51) MMP3MMP1MMP9MMP2MMP7
SCHEMBL7452724 0.85 MMP1 (0.48) MMP3MMP1MMP9MMP2MMP7
SCHEMBL6948615 0.85 MMP1 (0.48) MMP3MMP1MMP9MMP2MMP7
SCHEMBL7420233 0.84 MMP3 (0.52) MMP3MMP1MMP9MMP2MMP7
Methylamine SCHEMBL8764733 0.82 MMP3 (0.51) MMP3MMP1MMP9MMP2MMP7
SCHEMBL8385691 0.82 PSMB5 (0.46) PSMB5MMP3MMP1MMP9MMP2
SCHEMBL6413161 0.81 MMP3 (0.47) MMP3MMP1MMP9MMP2MMP7

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-0784629-B1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES DARWIN DISCOVERY LTD (GB) 1999-04-28 EP claimed