SCHEMBL8510052

SCHEMBL8510052

CCCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 7/20 0.70
MMP1 P03956 10/20 0.63
MMP2 P08253 7/20 0.63
MMP3 P08254 6/20 0.63
MMP8 P22894 5/20 0.61
MMP9 P14780 4/20 0.61
MMP7 P09237 2/20 0.61
FCER2 P06734 2/20 0.61

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
SCHEMBL7400674 0.90 PSMB5 (0.69) PSMB5MMP1MMP2MMP3MMP8
SCHEMBL15692341 0.90 PSMB5 (0.69) PSMB5MMP2MMP9MMP7
SCHEMBL15692320 0.90 PSMB5 (0.73) PSMB5MMP2MMP9MMP7
SCHEMBL989841 0.90 PSMB5 (0.64) PSMB5MMP1MMP2MMP3MMP8
SCHEMBL15759462 0.90 PSMB5 (0.64) PSMB5MMP1MMP2MMP3MMP8
SCHEMBL7403731 0.89 MMP1 (0.61) PSMB5MMP1MMP2MMP3MMP8
SCHEMBL6416478 0.87 MMP1 (0.64) PSMB5MMP1MMP2MMP3MMP8
SCHEMBL7404527 0.85 MMP1 (0.65) PSMB5MMP1MMP2MMP3MMP8
SCHEMBL8015471 0.84 ACE (0.63) PSMB5MMP1MMP2MMP3MMP8
SCHEMBL12957256 0.84 PSMB5 (0.62) PSMB5MMP2MMP3MMP9MMP7

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
US-5981491-A PEPTIDES; METALLOENZYMES; TUMOR NECROSIS FACTOR DARWIN DISCOVERY LIMITED (GB) 1999-11-09 US disclosed