SCHEMBL7304574

SCHEMBL7304574

CC(C)(C)OC(=O)NCCC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.52
ACE P12821 2/20 0.50
CCKBR P32239 1/20 0.50
KLK5 Q9Y337 2/20 0.49
KLK7 P49862 1/20 0.47
CTSS P25774 2/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SYK P43405 1/20 0.46
REN P00797 4/20 0.45
AKT1 P31749 1/20 0.44
MMP9 P14780 1/20 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
SCHEMBL7309615 0.94 MAPT (0.56) MAPTPOLBMAPK1ACECCKBR
SCHEMBL9217707 0.88 SYK (0.46) MAPTPOLBMAPK1ACECCKBR
SCHEMBL7294995 0.88 CTSS (0.56) ACEKLK5KLK7CTSSCTSL
SCHEMBL9220679 0.87 MAPT (0.61) MAPTPOLBMAPK1KLK5KLK7
SCHEMBL7304807 0.85 MEN1 (0.48) MAPTPOLBKLK5KLK7CTSS
SCHEMBL9220259 0.85 REN (0.55) KLK5KLK7CTSSCTSLCTSB
SCHEMBL7336100 0.84 CTSL (0.49) MAPTACECCKBRKLK5KLK7
SCHEMBL27510152 0.84 CTSS (0.53) ACEKLK5KLK7CTSSCTSL
SCHEMBL7438212 0.84 MAPT (0.65) MAPTPOLBMAPK1ACEKLK5
SCHEMBL9215449 0.83 MAPT (0.45) MAPTPOLBMAPK1ACECCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445796-B1 Derivatives of acetic acid containing peptide bonds HOFFMANN LA ROCHE (CH) 1998-06-17 EP disclosed
US-5430024-A Peptides bearing N-terminal amidino moieties and their use as inhibitors of platelet aggregation HOFFMANN-LA ROCHE INC. (US) 1995-07-04 US disclosed
US-5273982-A An amidinoaryleneamidoalkylpiperazinyleneacetic acid HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed
EP-0445796-A2 Derivatives of acetic acid F. HOFFMANN-LA ROCHE AG (CH) 1991-09-11 EP disclosed