SCHEMBL7403731

SCHEMBL7403731

CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CCC(C)=O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.61
MMP2 P08253 8/20 0.61
MMP3 P08254 6/20 0.61
MMP8 P22894 5/20 0.60
MMP9 P14780 4/20 0.60
MMP7 P09237 3/20 0.60
FCER2 P06734 2/20 0.60
PSMB5 P28074 7/20 0.56
ADAM17 P78536 1/20 0.53

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
SCHEMBL8510052 0.89 PSMB5 (0.70) MMP1MMP2MMP3MMP8MMP9
SCHEMBL7400674 0.87 PSMB5 (0.69) MMP1MMP2MMP3MMP8MMP9
SCHEMBL6416478 0.86 MMP1 (0.64) MMP1MMP2MMP3MMP8MMP9
SCHEMBL8019394 0.84 MMP1 (0.59) MMP1MMP2MMP3MMP8MMP9
SCHEMBL7404527 0.84 MMP1 (0.65) MMP1MMP2MMP3MMP8MMP9
SCHEMBL6414154 0.83 MMP1 (0.67) MMP1MMP2MMP3MMP8MMP9
SCHEMBL8019391 0.82 MMP1 (0.63) MMP1MMP2MMP3MMP8MMP9
SCHEMBL6414037 0.82 MME (0.74) MMP1MMP2MMP3MMP8MMP9
SCHEMBL10734396 0.82 MME (0.63) MMP2MMP9MMP7PSMB5
SCHEMBL7397714 0.82 MMP1 (0.55) MMP1MMP2MMP3MMP8MMP9

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
WO-1996035711-A1 PEPTIDE COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION, AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-14 WO claimed