SCHEMBL3856640

SCHEMBL3856640

CC(=O)Oc1ccccc1COC[C@H](N)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 1/20 0.45
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 3/20 0.43
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 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
TSHR P16473 1/20 0.43
GGT1 P19440 1/20 0.43
BLM P54132 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
ALPI P09923 1/20 0.41

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
SCHEMBL3856638 1.00 SLC1A1 (0.45) SLC1A1KDM4EHSD17B10PTGS1PTGS2
SCHEMBL3857015 0.86 SLC1A5 (0.45) SLC1A1KDM4EHSD17B10PTGS1PTGS2
SCHEMBL3857014 0.86 SLC1A5 (0.45) SLC1A1KDM4EHSD17B10PTGS1PTGS2
SCHEMBL12667853 0.82 NOS3 (0.56) KDM4EHSD17B10PTGS1PTGS2HPGD
SCHEMBL14599983 0.82 NOS3 (0.56) KDM4EHSD17B10PTGS1PTGS2HPGD
SCHEMBL6665890 0.82 PTGS2 (0.52) KDM4EHSD17B10PTGS1PTGS2HPGD
SCHEMBL5925713 0.79 ITGA4 (0.41) KDM4EHSD17B10PTGS1PTGS2HPGD
SCHEMBL5925709 0.79 ITGA4 (0.41) KDM4EHSD17B10PTGS1PTGS2HPGD
SCHEMBL27691216 0.79 KDM4E (0.44) KDM4EHSD17B10PTGS1PTGS2HPGD
Hydrochloric Acid SCHEMBL6667478 0.78 SLC1A5 (0.52) SLC1A1KDM4EPTGS1ALDH1A1NOS3

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