SCHEMBL3865658

SCHEMBL3865658

CC(=O)Oc1ccccc1CN[C@H](C=O)[C@@H](OCc1ccccc1OC(C)=O)[C@H](O)[C@H](O)CO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.31
HPGD P15428 3/20 0.31
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 2/20 0.30
PTGS2 P35354 2/20 0.30
TSHR P16473 2/20 0.30
ESR1 P03372 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
HMGB1 P09429 1/20 0.30
GGT1 P19440 1/20 0.30
PTGS1 P23219 1/20 0.30
BLM P54132 1/20 0.30
NAPRT Q6XQN6 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HTT P42858 1/20 0.30
ITGA4 P13612 1/20 0.30

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
SCHEMBL3857122 1.00 ALOX5AP (0.31) ALOX5APHPGDKDM4EHSD17B10MEN1
SCHEMBL3856101 1.00 ALOX5AP (0.31) ALOX5APHPGDKDM4EHSD17B10MEN1
SCHEMBL3860926 0.87 PTGS2 (0.34) ALOX5APHPGDKDM4EHSD17B10MEN1
SCHEMBL3855130 0.87 PTGS2 (0.34) ALOX5APHPGDKDM4EHSD17B10MEN1
SCHEMBL3855936 0.87 PTGS2 (0.34) ALOX5APHPGDKDM4EHSD17B10MEN1
SCHEMBL3855955 0.83 PTGS2 (0.33) HPGDKDM4EHSD17B10MEN1KMT2A
SCHEMBL3862910 0.83 PTGS2 (0.33) HPGDKDM4EHSD17B10MEN1KMT2A
SCHEMBL3857390 0.83 PTGS2 (0.33) HPGDKDM4EHSD17B10MEN1KMT2A
SCHEMBL3950241 0.70 ALDH1A1 (0.46) HPGDHSD17B10MEN1KMT2AALDH1A1
SCHEMBL5925716 0.69 KDM4E (0.38) HPGDKDM4EHSD17B10MEN1KMT2A

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