SCHEMBL9217565

SCHEMBL9217565

CC(C)(C)OC(=O)NC(CC(=O)NCCC(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
SYK P43405 1/20 0.48
KLK5 Q9Y337 4/20 0.47
KLK7 P49862 2/20 0.47
CTSS P25774 4/20 0.44
PPARA Q07869 1/20 0.43
CTSK P43235 2/20 0.43
ACE P12821 1/20 0.43
CTSL P07711 2/20 0.42
CTSB P07858 1/20 0.42

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
SCHEMBL7308756 1.00 MAPT (0.50) MAPTSYKKLK5KLK7CTSS
SCHEMBL7299670 0.87 KLK5 (0.53) MAPTSYKKLK5KLK7CTSS
SCHEMBL7361905 0.86 KLK5 (0.55) MAPTSYKKLK5KLK7CTSS
SCHEMBL9223452 0.85 CTSS (0.53) MAPTSYKKLK5KLK7CTSS
SCHEMBL7300981 0.85 SYK (0.51) MAPTSYKKLK5KLK7CTSS
SCHEMBL9224620 0.85 SYK (0.51) MAPTSYKKLK5KLK7CTSS
SCHEMBL17724495 0.84 PPARA (0.50) MAPTSYKKLK5KLK7CTSS
SCHEMBL19542322 0.84 PPARA (0.50) MAPTSYKKLK5KLK7CTSS
SCHEMBL31258268 0.82 SYK (0.53) MAPTSYKKLK5KLK7
SCHEMBL7308592 0.82 SYK (0.53) MAPTSYKKLK5KLK7

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
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