SCHEMBL3862910

SCHEMBL3862910

CC(=O)Oc1ccccc1CO[C@@H]([C@@H](O)[C@H](O)CO)[C@@H](N)C=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 3/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ESR1 P03372 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
HMGB1 P09429 1/20 0.33
TSHR P16473 1/20 0.33
GGT1 P19440 1/20 0.33
PTGS1 P23219 1/20 0.33
BLM P54132 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL3857390 1.00 PTGS2 (0.33) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL3855955 1.00 PTGS2 (0.33) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL3857122 0.83 ALOX5AP (0.31) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL3856101 0.83 ALOX5AP (0.31) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL3865658 0.83 ALOX5AP (0.31) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL3259181 0.80 PTGS2 (0.45) PTGS2KDM4EHSD17B10HPGDALDH1A1
Aspirin SCHEMBL3259184 0.75 KDM4E (0.56) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL3855130 0.73 PTGS2 (0.34) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL3855936 0.73 PTGS2 (0.34) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL3860926 0.73 PTGS2 (0.34) PTGS2KDM4EHSD17B10HPGDALDH1A1

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