SCHEMBL3864783

SCHEMBL3864783

CCOC(=O)C(Cc1ccc(O)cc1)NCc1ccccc1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 4/20 0.51
ITGB7 P26010 4/20 0.51
BACE1 P56817 1/20 0.47
EPHX2 P34913 4/20 0.42
PPARG P37231 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
PLEC Q15149 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.39
MDM4 O15151 1/20 0.39
MDM2 Q00987 1/20 0.39

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
SCHEMBL3862081 1.00 ITGA4 (0.51) ITGA4ITGB7BACE1EPHX2PPARG
SCHEMBL3855589 0.88 ITGA4 (0.53) ITGA4ITGB7ALDH1A1GAAMEN1
SCHEMBL3855597 0.88 ITGA4 (0.53) ITGA4ITGB7ALDH1A1GAAMEN1
SCHEMBL7206519 0.84 ITGA4 (0.42) ITGA4ITGB7EPHX2PPARGALDH1A1
SCHEMBL7206518 0.84 ITGA4 (0.42) ITGA4ITGB7EPHX2PPARGALDH1A1
SCHEMBL6238356 0.84 BACE1 (0.51) ITGA4ITGB7BACE1EPHX2PPARG
SCHEMBL5925696 0.81 ITGA4 (0.46) ITGA4ITGB7ALDH1A1GAARECQL
SCHEMBL3857463 0.81 ITGA4 (0.57) ITGA4ITGB7ALDH1A1GAAMEN1
SCHEMBL3857454 0.81 ITGA4 (0.57) ITGA4ITGB7ALDH1A1GAAMEN1
SCHEMBL3855371 0.81 L3MBTL1 (0.45) ITGA4ITGB7ALDH1A1KMT2AATM

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1843661-A4 COMPOSITIONS COMPRISING O-ACETYLSALICYL DERIVATIVES OF AMINOCARBOHYDRATES AND AMINO ACIDS YU RUEY J (US) 2009-01-14 EP claimed
EP-1843661-A2 COMPOSITIONS COMPRISING O-ACETYLSALICYL DERIVATIVES OF AMINOCARBOHYDRATES AND AMINO ACIDS Yu, Ruey J., Dr. (US) 2007-10-17 EP claimed
US-20060166901-A1 Compositions comprising O-acetylsalicyl derivatives of aminocarbohydrates and amino acids YU RUEY J 2006-07-27 US claimed
WO-2006074114-A2 COMPOSITIONS COMPRISING O-ACETYLSALICYL DERIVATIVES OF AMINOCARBOHYDRATES AND AMINO ACIDS YU RUEY J (US) 2006-07-13 WO claimed
EP-1843661-A4 COMPOSITIONS COMPRISING O-ACETYLSALICYL DERIVATIVES OF AMINOCARBOHYDRATES AND AMINO ACIDS YU RUEY J (US) 2009-01-14 EP disclosed
EP-1843661-A2 COMPOSITIONS COMPRISING O-ACETYLSALICYL DERIVATIVES OF AMINOCARBOHYDRATES AND AMINO ACIDS Yu, Ruey J., Dr. (US) 2007-10-17 EP disclosed
US-20060166901-A1 Compositions comprising O-acetylsalicyl derivatives of aminocarbohydrates and amino acids YU RUEY J 2006-07-27 US disclosed
WO-2006074114-A2 COMPOSITIONS COMPRISING O-ACETYLSALICYL DERIVATIVES OF AMINOCARBOHYDRATES AND AMINO ACIDS YU RUEY J (US) 2006-07-13 WO disclosed