SCHEMBL8764282

SCHEMBL8764282

COC(=O)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C(CCCN1C(=O)c2ccccc2C1=O)SC(C)=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 14/20 0.43
MMP1 P03956 11/20 0.43
MMP9 P14780 10/20 0.43
MMP2 P08253 7/20 0.43
MMP7 P09237 2/20 0.43
MMP14 P50281 2/20 0.43
NPC1 O15118 1/20 0.39

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
SCHEMBL6414900 0.92 MMP3 (0.47) MMP3MMP1MMP9MMP2MMP7
SCHEMBL7452724 0.89 MMP1 (0.48) MMP3MMP1MMP9MMP2MMP7
SCHEMBL6948615 0.89 MMP1 (0.48) MMP3MMP1MMP9MMP2MMP7
SCHEMBL6956115 0.89 MMP3 (0.44) MMP3MMP1MMP9MMP2MMP7
SCHEMBL8764081 0.88 MMP3 (0.45) MMP3MMP1MMP9MMP2MMP7
SCHEMBL7419821 0.87 MMP3 (0.51) MMP3MMP1MMP9MMP2MMP7
SCHEMBL8391838 0.84 MMP3 (0.43) MMP3MMP1MMP9MMP2MMP7
SCHEMBL7420233 0.84 MMP3 (0.52) MMP3MMP1MMP9MMP2MMP7
SCHEMBL8385695 0.84 MMP3 (0.43) MMP3MMP1MMP9MMP2MMP7
SCHEMBL8387018 0.83 MMP3 (0.43) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0784629-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES Chiroscience Limited (GB) 1997-07-23 EP claimed
WO-1996011209-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES CHIROSCIENCE LIMITED (GB) 1996-04-18 WO claimed