SCHEMBL6558798

SCHEMBL6558798

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(F)(F)C(=O)NCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSB P07858 4/20 0.39
HTRA1 Q92743 5/20 0.39
MMP8 P22894 3/20 0.38
NFKB1 P19838 1/20 0.38
PSMB5 P28074 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
LMNA P02545 1/20 0.37
REN P00797 1/20 0.36
MMP13 P45452 1/20 0.36
ELANE P08246 1/20 0.36

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 0.86 CTSB (0.49) CTSBMMP8NFKB1PSMB5NFKB2
SCHEMBL6558487 0.83 PDF (0.32) MMP8MMP13
SCHEMBL6559675 0.79 PDF (0.31) MMP8RENMMP13
SCHEMBL6558834 0.77 MMP2 (0.43) MMP13
SCHEMBL6558964 0.76 MMP3 (0.41) CTSBMMP8PSMB5REN
SCHEMBL6558814 0.75 MMP2 (0.45)
SCHEMBL6558829 0.74 MMP1 (0.32) MMP8MMP13
SCHEMBL6559652 0.74 PDF (0.32) MMP8MMP13
SCHEMBL6559238 0.73 MMP1 (0.36) MMP8MMP13
SCHEMBL6558836 0.73 MMP13 (0.37) HTRA1PSMB5MMP13

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