SCHEMBL8385691

SCHEMBL8385691

CNC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.46
MMP3 P08254 10/20 0.44
MMP2 P08253 9/20 0.44
MMP1 P03956 8/20 0.44
MMP9 P14780 6/20 0.44
MMP7 P09237 4/20 0.44
MMP14 P50281 4/20 0.44
REN P00797 4/20 0.40
MMP13 P45452 1/20 0.39
SCN9A Q15858 1/20 0.38
CAPN1 P07384 1/20 0.38

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
SCHEMBL8385714 0.93 PSMB5 (0.46) PSMB5MMP3MMP2MMP1MMP9
SCHEMBL6414560 0.89 MMP3 (0.46) PSMB5MMP3MMP2MMP1MMP9
SCHEMBL6419064 0.88 MMP3 (0.46) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7384875 0.85 MMP1 (0.58) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7427129 0.85 MMP1 (0.58) MMP3MMP2MMP1MMP9MMP7
SCHEMBL6415164 0.85 MMP1 (0.58) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7898741 0.85 MMP1 (0.58) MMP3MMP2MMP1MMP9MMP7
SCHEMBL8764329 0.82 MMP1 (0.58) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7381282 0.82 MMP1 (0.58) MMP3MMP2MMP1MMP9MMP7
SCHEMBL6416194 0.82 MMP1 (0.58) MMP3MMP2MMP1MMP9MMP7

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