SCHEMBL8764735

SCHEMBL8764735

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 9/20 0.44
MMP2 P08253 8/20 0.44
MMP1 P03956 7/20 0.44
MMP9 P14780 4/20 0.44
MMP7 P09237 3/20 0.44
MMP14 P50281 3/20 0.44
CAPN1 P07384 2/20 0.38
CTSK P43235 3/20 0.38
CTSL P07711 2/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 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
SCHEMBL8764249 0.91 MMP1 (0.45) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7897220 0.82 MMP1 (0.56) MMP3MMP2MMP1MMP9MMP7
SCHEMBL8764718 0.80 MMP1 (0.50) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7894438 0.79 MMP1 (0.56) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7481783 0.76 MMP1 (0.48) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7895353 0.76 MMP1 (0.55) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7480288 0.75 MMP1 (0.53) MMP1CAPN1CTSKCTSLCTSB
SCHEMBL7762274 0.75 CTSK (0.42) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7424750 0.74 MMP1 (0.46) MMP3MMP2MMP1CAPN1CTSK
SCHEMBL7420777 0.74 MMP1 (0.41) 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 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 disclosed
WO-1996011209-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES CHIROSCIENCE LIMITED (GB) 1996-04-18 WO disclosed