SCHEMBL7594281

SCHEMBL7594281

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

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 15/20 0.61
MMP2 P08253 8/20 0.58
MMP3 P08254 7/20 0.58
MMP8 P22894 5/20 0.54
MMP9 P14780 4/20 0.54
MMP7 P09237 4/20 0.54
FCER2 P06734 4/20 0.54
REN P00797 4/20 0.53
ADAM17 P78536 2/20 0.53
MMP12 P39900 1/20 0.53
MMP13 P45452 1/20 0.53
MMP14 P50281 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
SCHEMBL7589289 0.93 MMP1 (0.64) MMP1MMP2MMP3MMP8MMP9
SCHEMBL7344017 0.91 MME (0.55) MMP1MMP2MMP9MMP7REN
SCHEMBL7595012 0.86 MMP1 (0.66) MMP1MMP2MMP3MMP8MMP9
SCHEMBL6419589 0.85 MMP1 (0.63) MMP1MMP2MMP3MMP8MMP9
SCHEMBL7428922 0.85 MMP1 (0.63) MMP1MMP2MMP3MMP8MMP9
SCHEMBL7382552 0.85 MMP1 (0.63) MMP1MMP2MMP3MMP8MMP9
SCHEMBL6257513 0.85 MMP1 (0.58) MMP1MMP2MMP3MMP8MMP9
SCHEMBL6413299 0.85 MMP1 (0.62) MMP1MMP2MMP3MMP8MMP9
SCHEMBL7424246 0.85 MMP1 (0.62) MMP1MMP2MMP3MMP8MMP9
SCHEMBL7426252 0.85 MMP1 (0.62) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0826000-B1 PEPTIDE COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USES DARWIN DISCOVERY LTD (GB) 2002-10-23 EP disclosed
US-6110896-A TRIPEPTIDYL DERIVATIVES HAVING A MERCAPTO OR ACYLTHIO GROUP AND WHICH ARE AMIDES; UTILITY AS MATRIX METALLOPROTEASE OR TNF INHIBITORS DARWIN DISCOVERY, LTD. (GB) 2000-08-29 US disclosed