SCHEMBL7300351

SCHEMBL7300351

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.54
HRH4 Q9H3N8 1/20 0.44
POLB P06746 1/20 0.44
IDO1 P14902 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CTSK P43235 4/20 0.42
CTSS P25774 4/20 0.42
KDM4A O75164 1/20 0.42
MAPT P10636 1/20 0.42
CAPN1 P07384 1/20 0.42
CAPN2 P17655 1/20 0.42
CTSL P07711 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3955009 0.85 SYK (0.57) SYKIDO1MEN1KMT2AALDH1A1
SCHEMBL9219395 0.84 SYK (0.63) SYKPOLBIDO1MEN1KMT2A
SCHEMBL14485663 0.83 SYK (0.57) SYKPOLBMEN1KMT2AALDH1A1
SCHEMBL9038435 0.82 CTSK (0.61) CTSKCTSSCAPN1CAPN2CTSL
SCHEMBL7304052 0.82 SYK (0.53) SYKPOLBIDO1MEN1KMT2A
SCHEMBL23518261 0.81 SYK (0.52) SYKMEN1KMT2AALDH1A1HPGD
SCHEMBL9215416 0.81 SYK (0.52) SYKMEN1KMT2AALDH1A1HPGD
SCHEMBL9352270 0.81 SYK (0.54) SYKHRH4IDO1MEN1KMT2A
SCHEMBL9352507 0.81 SYK (0.54) SYKHRH4IDO1MEN1KMT2A
SCHEMBL31258268 0.81 SYK (0.53) SYKIDO1MEN1KMT2AMAPT

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