SCHEMBL9220679

SCHEMBL9220679

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

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
POLB P06746 1/20 0.61
MAPK1 P28482 1/20 0.61
MEN1 O00255 1/20 0.51
RECQL P46063 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
TDP1 Q9NUW8 2/20 0.49
PAX8 Q06710 1/20 0.49
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
SYK P43405 1/20 0.46
KLK7 P49862 1/20 0.45
KLK5 Q9Y337 1/20 0.45
PTPN1 P18031 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
SCHEMBL7309615 0.90 MAPT (0.56) MAPTPOLBMAPK1MEN1RECQL
SCHEMBL7304574 0.87 MAPT (0.52) MAPTPOLBMAPK1TDP1CTSS
SCHEMBL7294995 0.86 CTSS (0.56) CTSSCTSLCTSBCTSKKLK7
SCHEMBL9224456 0.84 MEN1 (0.53) MAPTPOLBMAPK1MEN1RECQL
SCHEMBL5302755 0.84 MAPT (0.59) MAPTPOLBMAPK1TDP1PAX8
SCHEMBL8242070 0.84 MAPT (0.59) MAPTPOLBMAPK1TDP1PAX8
SCHEMBL7438212 0.84 MAPT (0.65) MAPTPOLBMAPK1MEN1RECQL
SCHEMBL9875747 0.83 MAPT (0.61) MAPTPOLBMAPK1TDP1PAX8
SCHEMBL6045085 0.83 SYK (0.53) MAPTPOLBMAPK1MEN1RECQL
SCHEMBL22343065 0.83 MAPT (0.53) MAPTPOLBMAPK1TDP1PAX8

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