SCHEMBL7301216

SCHEMBL7301216

CC(CNC(=O)CCNC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.55
IDO1 P14902 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
SIGMAR1 Q99720 2/20 0.47
MAPT P10636 3/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RECQL P46063 1/20 0.45
POLB P06746 2/20 0.44
MAPK1 P28482 2/20 0.44
NTSR1 P30989 1/20 0.44
HTT P42858 1/20 0.44
CYP3A4 P08684 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CTSS P25774 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
KLK7 P49862 1/20 0.42
KLK5 Q9Y337 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
SCHEMBL7381985 0.88 SYK (0.57) SYKIDO1L3MBTL1SIGMAR1MAPT
SCHEMBL7304052 0.87 SYK (0.53) SYKIDO1L3MBTL1SIGMAR1MAPT
SCHEMBL5574078 0.84 SYK (0.57) SYKIDO1L3MBTL1SIGMAR1MAPT
SCHEMBL27451232 0.84 SYK (0.60) SYKMAPTCTSSKLK7KLK5
SCHEMBL31258268 0.83 SYK (0.53) SYKIDO1L3MBTL1SIGMAR1MAPT
SCHEMBL7308592 0.83 SYK (0.53) SYKIDO1L3MBTL1SIGMAR1MAPT
SCHEMBL7754673 0.83 SYK (0.59) SYKIDO1MAPTCTSSKLK7
SCHEMBL28151473 0.82 MAPT (0.56) SYKIDO1L3MBTL1MAPTMEN1
SCHEMBL24622413 0.81 MAPT (0.60) SYKIDO1L3MBTL1MAPTMEN1
SCHEMBL7752671 0.81 SYK (0.60) SYKMAPTPOLBMAPK1CTSS

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