SCHEMBL6558964

SCHEMBL6558964

CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(=O)NCCOCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 7/20 0.41
MMP1 P03956 5/20 0.41
MMP8 P22894 3/20 0.41
MMP9 P14780 3/20 0.41
PSMB5 P28074 3/20 0.38
PSMB11 A5LHX3 2/20 0.38
PSMD11 O00231 2/20 0.38
PSMD12 O00232 2/20 0.38
PSMD14 O00487 2/20 0.38
PSMA7 O14818 2/20 0.38
PSMD3 O43242 2/20 0.38
PSMC3 P17980 2/20 0.38
PSMB1 P20618 2/20 0.38
PSMA1 P25786 2/20 0.38
PSMA2 P25787 2/20 0.38
PSMA3 P25788 2/20 0.38
PSMA4 P25789 2/20 0.38
PSMB8 P28062 2/20 0.38
PSMB9 P28065 2/20 0.38
PSMA5 P28066 2/20 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
SCHEMBL6558471 0.88 CTSB (0.49) MMP3MMP1MMP8PSMB5CTSB
SCHEMBL6558834 0.81 MMP2 (0.43) MMP3MMP1MMP9MMP2MMP14
SCHEMBL6558814 0.80 MMP2 (0.45) MMP3MMP2
SCHEMBL6559238 0.79 MMP1 (0.36) MMP3MMP1MMP8MMP9MMP2
SCHEMBL6558798 0.76 CTSB (0.39) MMP8PSMB5CTSBREN
SCHEMBL6559652 0.76 PDF (0.32) MMP3MMP1MMP8MMP9MMP2
SCHEMBL6558487 0.71 PDF (0.32) MMP3MMP1MMP8MMP9MMP2
SCHEMBL6560446 0.70 CTSS (0.36) CTSB
SCHEMBL6559675 0.70 PDF (0.31) MMP3MMP1MMP8MMP9REN
SCHEMBL6559638 0.67 ELANE (0.34) PSMB5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948523-B1 PEPTIDOMIMETIC INHIBITORS OF THE HUMAN CYTOMEGALOVIRUS PROTEASE BOEHRINGER INGELHEIM CA LTD (CA) 2004-03-17 EP claimed
EP-0948523-B1 PEPTIDOMIMETIC INHIBITORS OF THE HUMAN CYTOMEGALOVIRUS PROTEASE BOEHRINGER INGELHEIM CA LTD (CA) 2004-03-17 EP disclosed
US-6291640-B1 OLIGOPEPTIDES; SOLID PHASE SYNTHESIS BOEHRINGER INGELHEIM LTD. (CA) 2001-09-18 US disclosed