SCHEMBL3862972

SCHEMBL3862972

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 7/20 0.46
HPGD P15428 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ESR1 P03372 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
HMGB1 P09429 1/20 0.45
TSHR P16473 1/20 0.45
GGT1 P19440 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
BLM P54132 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 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
SCHEMBL3862979 1.00 CD274 (0.46) CD274HPGDALDH1A1HSD17B10KDM4E
SCHEMBL3857136 0.86 MEN1 (0.44) HPGDALDH1A1HSD17B10KDM4EESR1
SCHEMBL3857145 0.86 MEN1 (0.44) HPGDALDH1A1HSD17B10KDM4EESR1
SCHEMBL3854747 0.85 CD274 (0.44) CD274HPGDALDH1A1HSD17B10KDM4E
SCHEMBL3854741 0.85 CD274 (0.44) CD274HPGDALDH1A1HSD17B10KDM4E
SCHEMBL3855916 0.83 ANPEP (0.46) CD274HPGDALDH1A1HSD17B10KDM4E
SCHEMBL3855918 0.83 ANPEP (0.46) CD274HPGDALDH1A1HSD17B10KDM4E
SCHEMBL3862142 0.83 CYP2C9 (0.43) CD274HPGDALDH1A1HSD17B10KDM4E
SCHEMBL3862145 0.83 CYP2C9 (0.43) CD274HPGDALDH1A1HSD17B10KDM4E
SCHEMBL3859672 0.83 PDCD1 (0.50) CD274HPGDALDH1A1HSD17B10KDM4E

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 7 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
WO-2006074114-A2 COMPOSITIONS COMPRISING O-ACETYLSALICYL DERIVATIVES OF AMINOCARBOHYDRATES AND AMINO ACIDS YU RUEY J (US) 2006-07-13 WO disclosed