SCHEMBL7587429

SCHEMBL7587429

CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NCCCN1C(=O)c2ccccc2C1=O)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 13/20 0.51
MMP2 P08253 13/20 0.51
MMP3 P08254 8/20 0.51
MMP9 P14780 6/20 0.51
MMP7 P09237 5/20 0.51
MMP14 P50281 3/20 0.51
FCER2 P06734 2/20 0.44
MMP8 P22894 3/20 0.44

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
SCHEMBL7334816 0.92 MMP1 (0.48) MMP1MMP2MMP3MMP9MMP7
SCHEMBL7593715 0.87 MMP1 (0.57) MMP1MMP2MMP3MMP9MMP7
SCHEMBL6411988 0.82 MMP2 (0.54) MMP1MMP2MMP3MMP9MMP7
SCHEMBL7595165 0.81 MMP1 (0.55) MMP1MMP2MMP3MMP9MMP7
SCHEMBL7403300 0.78 MMP1 (0.60) MMP1MMP2MMP3MMP9MMP7
SCHEMBL7402160 0.78 MMP3 (0.60) MMP1MMP2MMP3MMP9MMP7
SCHEMBL7898741 0.77 MMP1 (0.58) MMP1MMP2MMP3MMP9MMP7
SCHEMBL7427129 0.77 MMP1 (0.58) MMP1MMP2MMP3MMP9MMP7
SCHEMBL6415164 0.77 MMP1 (0.58) MMP1MMP2MMP3MMP9MMP7
SCHEMBL7894438 0.77 MMP1 (0.56) MMP1MMP2MMP3MMP9MMP7

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