SCHEMBL8764249

SCHEMBL8764249

CNC(=O)[C@H](Cc1ccccc1)N(C(=O)OCc1ccccc1)C(=O)[C@H](CC(C)C)NC(=O)C(S)CCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.45
MMP3 P08254 9/20 0.45
MMP2 P08253 8/20 0.45
MMP9 P14780 4/20 0.45
MMP7 P09237 3/20 0.45
MMP14 P50281 3/20 0.45
MME P08473 1/20 0.41
CTSK P43235 3/20 0.40
CTSL P07711 2/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40

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
SCHEMBL8764735 0.91 MMP3 (0.44) MMP1MMP3MMP2MMP9MMP7
SCHEMBL8764718 0.86 MMP1 (0.50) MMP1MMP3MMP2MMP9MMP7
SCHEMBL8764329 0.82 MMP1 (0.58) MMP1MMP3MMP2MMP9MMP7
SCHEMBL6416194 0.82 MMP1 (0.58) MMP1MMP3MMP2MMP9MMP7
SCHEMBL7381282 0.82 MMP1 (0.58) MMP1MMP3MMP2MMP9MMP7
SCHEMBL7480288 0.81 MMP1 (0.53) MMP1MMECTSKCTSLCTSB
SCHEMBL7762274 0.80 CTSK (0.42) MMP1MMP3MMP2MMP9MMP7
SCHEMBL6415164 0.79 MMP1 (0.58) MMP1MMP3MMP2MMP9MMP7
SCHEMBL7427129 0.79 MMP1 (0.58) MMP1MMP3MMP2MMP9MMP7
SCHEMBL7384875 0.79 MMP1 (0.58) MMP1MMP3MMP2MMP9MMP7

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