SCHEMBL7309615

SCHEMBL7309615

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
POLB P06746 1/20 0.56
MAPK1 P28482 1/20 0.56
PSMB1 P20618 2/20 0.49
PSMB5 P28074 2/20 0.49
PSMB2 P49721 2/20 0.49
ACE P12821 2/20 0.48
KLK5 Q9Y337 2/20 0.47
MEN1 O00255 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
PAX8 Q06710 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
KLK7 P49862 1/20 0.46
PTPN1 P18031 1/20 0.45
CCKBR P32239 1/20 0.45

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
SCHEMBL7304574 0.94 MAPT (0.52) MAPTPOLBMAPK1ACEKLK5
SCHEMBL7438212 0.91 MAPT (0.65) MAPTPOLBMAPK1PSMB1PSMB5
SCHEMBL9220679 0.90 MAPT (0.61) MAPTPOLBMAPK1KLK5MEN1
SCHEMBL24235708 0.86 MEN1 (0.55) MAPTPOLBMAPK1PSMB1PSMB5
SCHEMBL7294995 0.86 CTSS (0.56) ACEKLK5KLK7
SCHEMBL26222671 0.86 PSMB1 (0.55) MAPTPOLBMAPK1PSMB1PSMB5
SCHEMBL7297749 0.86 MEN1 (0.50) MAPTPOLBMAPK1PSMB1PSMB5
SCHEMBL24235762 0.82 MEN1 (0.51) MAPTPOLBMAPK1KLK5MEN1
SCHEMBL9217707 0.82 SYK (0.46) MAPTPOLBMAPK1PSMB5ACE
SCHEMBL22343065 0.82 MAPT (0.53) MAPTPOLBMAPK1PSMB5KLK5

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