SCHEMBL6559652

SCHEMBL6559652

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)N(C)C

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDF Q9HBH1 1/20 0.32
RRM1 P23921 3/20 0.32
RRM2 P31350 3/20 0.32
RRM2B Q7LG56 3/20 0.32
MMP1 P03956 2/20 0.32
MMP2 P08253 2/20 0.32
MMP3 P08254 2/20 0.32
MMP9 P14780 2/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
ADAM17 P78536 1/20 0.32

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
SCHEMBL6559238 0.90 MMP1 (0.36) PDFRRM1RRM2RRM2BMMP1
SCHEMBL6558487 0.85 PDF (0.32) PDFRRM1RRM2RRM2BMMP1
SCHEMBL6559675 0.84 PDF (0.31) PDFRRM1RRM2RRM2BMMP1
SCHEMBL6558834 0.81 MMP2 (0.43) MMP1MMP2MMP3MMP9MMP13
SCHEMBL6558471 0.81 CTSB (0.49) MMP1MMP2MMP3MMP8
SCHEMBL6558814 0.80 MMP2 (0.45) MMP2MMP3
SCHEMBL6558964 0.76 MMP3 (0.41) MMP1MMP2MMP3MMP9MMP8
SCHEMBL6558829 0.75 MMP1 (0.32) PDFRRM1RRM2RRM2BMMP1
SCHEMBL6558880 0.75 REN (0.32)
SCHEMBL6558744 0.74 RRM1 (0.30) RRM1RRM2RRM2B

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-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