SCHEMBL3859672

SCHEMBL3859672

CC(=O)Oc1ccccc1CNC(CO)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 16/20 0.50
CD274 Q9NZQ7 16/20 0.50
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ESR1 P03372 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HMGB1 P09429 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
GGT1 P19440 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
BLM P54132 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL3859676 1.00 PDCD1 (0.50) PDCD1CD274ITGA4ITGB7ALDH1A1
SCHEMBL3855144 0.89 ITGA4 (0.43) PDCD1CD274ITGA4ITGB7ALDH1A1
SCHEMBL3855139 0.89 ITGA4 (0.43) PDCD1CD274ITGA4ITGB7ALDH1A1
SCHEMBL3858906 0.89 ITGA4 (0.44) PDCD1CD274ITGA4ITGB7ALDH1A1
SCHEMBL3858901 0.89 ITGA4 (0.44) PDCD1CD274ITGA4ITGB7ALDH1A1
SCHEMBL3858460 0.88 ITGA4 (0.44) PDCD1CD274ITGA4ITGB7ALDH1A1
SCHEMBL3858453 0.88 ITGA4 (0.44) PDCD1CD274ITGA4ITGB7ALDH1A1
SCHEMBL3857454 0.86 ITGA4 (0.57) ITGA4ITGB7ALDH1A1GAAKDM4E
SCHEMBL3855916 0.86 ANPEP (0.46) PDCD1CD274ITGA4ITGB7ALDH1A1
SCHEMBL3857463 0.86 ITGA4 (0.57) ITGA4ITGB7ALDH1A1GAAKDM4E

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 10 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
CN-101128117-A Compositions comprising O-acetylsalicyl derivatives of aminosugars and amino acids YU RUEY J (US) 2008-02-20 CN 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
CN-101128117-A Compositions comprising O-acetylsalicyl derivatives of aminosugars and amino acids YU RUEY J (US) 2008-02-20 CN 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