SCHEMBL7300981

SCHEMBL7300981

CC(C)(C)OC(=O)NCCC(=O)N[C@@H](CC(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.51
MAPT P10636 2/20 0.48
KLK7 P49862 2/20 0.47
KLK5 Q9Y337 2/20 0.47
IDO1 P14902 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
ACE P12821 1/20 0.43
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SIGMAR1 Q99720 1/20 0.42
CTSS P25774 2/20 0.41
MMP9 P14780 1/20 0.41
PPARA Q07869 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
CTSK P43235 1/20 0.41

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
SCHEMBL9224620 1.00 SYK (0.51) SYKMAPTKLK7KLK5IDO1
SCHEMBL9217103 0.87 SYK (0.53) SYKMAPTKLK7KLK5IDO1
SCHEMBL7295520 0.87 SYK (0.53) SYKMAPTKLK7KLK5IDO1
SCHEMBL7299670 0.87 KLK5 (0.53) SYKMAPTKLK7KLK5CTSS
SCHEMBL7308756 0.85 MAPT (0.50) SYKMAPTKLK7KLK5ACE
SCHEMBL9217565 0.85 MAPT (0.50) SYKMAPTKLK7KLK5ACE
SCHEMBL7146161 0.85 MEN1 (0.48) MAPTL3MBTL1MEN1KMT2ACTSS
SCHEMBL31258268 0.82 SYK (0.53) SYKMAPTKLK7KLK5IDO1
SCHEMBL7308592 0.82 SYK (0.53) SYKMAPTKLK7KLK5IDO1
SCHEMBL3955009 0.82 SYK (0.57) SYKMAPTIDO1L3MBTL1MAPK1

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