SCHEMBL3880111

SCHEMBL3880111

CC(=O)Oc1ccccc1CN[C@H](C(N)=O)[C@@H](C)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PTGS2 P35354 2/20 0.38
ESR1 P03372 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
HMGB1 P09429 1/20 0.38
GGT1 P19440 1/20 0.38
PTGS1 P23219 1/20 0.38
BLM P54132 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3854747 0.88 CD274 (0.44) HPGDKDM4EHSD17B10MEN1KMT2A
SCHEMBL3854741 0.88 CD274 (0.44) HPGDKDM4EHSD17B10MEN1KMT2A
SCHEMBL3950534 0.85 HPGD (0.37) HPGDKDM4EHSD17B10MEN1KMT2A
SCHEMBL3857136 0.81 MEN1 (0.44) HPGDKDM4EHSD17B10MEN1KMT2A
SCHEMBL3857145 0.81 MEN1 (0.44) HPGDKDM4EHSD17B10MEN1KMT2A
SCHEMBL3862142 0.79 CYP2C9 (0.43) HPGDKDM4EHSD17B10MEN1KMT2A
SCHEMBL3862145 0.79 CYP2C9 (0.43) HPGDKDM4EHSD17B10MEN1KMT2A
SCHEMBL3857314 0.78 ATM (0.45) HPGDKDM4EHSD17B10MEN1KMT2A
SCHEMBL3857308 0.78 ATM (0.45) HPGDKDM4EHSD17B10MEN1KMT2A
SCHEMBL3862972 0.78 CD274 (0.46) 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