SCHEMBL3854744

SCHEMBL3854744

CC(=O)Oc1ccccc1C(=O)NC(C(=O)O)C(C)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.60
KDM4E B2RXH2 4/20 0.60
HPGD P15428 4/20 0.60
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
ALDH1A1 P00352 3/20 0.54
TSHR P16473 2/20 0.54
PTGS1 P23219 2/20 0.54
ESR1 P03372 1/20 0.54
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
HMGB1 P09429 1/20 0.54
GGT1 P19440 1/20 0.54
PTGS2 P35354 1/20 0.54
BLM P54132 1/20 0.54
NAPRT Q6XQN6 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL3857142 0.90 HPGD (0.61) HSD17B10KDM4EHPGDKMT2AMEN1
SCHEMBL3857310 0.86 HSD17B10 (0.54) HSD17B10KDM4EHPGDKMT2AMEN1
SCHEMBL17402210 0.86 HPGD (0.65) HSD17B10HPGDKMT2AALDH1A1TSHR
SCHEMBL17402212 0.86 HPGD (0.65) HSD17B10HPGDKMT2AALDH1A1TSHR
SCHEMBL3862144 0.85 MEN1 (0.60) HSD17B10KDM4EHPGDKMT2AMEN1
SCHEMBL10978487 0.84 HSD17B10 (0.64) HSD17B10KDM4EHPGDKMT2AMEN1
SCHEMBL3862976 0.84 HSD17B10 (0.64) HSD17B10KDM4EHPGDKMT2AMEN1
SCHEMBL23763760 0.84 HSD17B10 (0.71) HSD17B10KDM4EHPGDKMT2AMEN1
SCHEMBL5925719 0.83 HSD17B10 (0.51) HSD17B10KDM4EHPGDKMT2AMEN1
SCHEMBL15941211 0.80 SGMS2 (0.58) KMT2AMEN1ALDH1A1LMNANPC1

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 10 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
CN-101128117-A Compositions comprising O-acetylsalicyl derivatives of aminosugars and amino acids YU RUEY J (US) 2008-02-20 CN 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
CN-101128117-A Compositions comprising O-acetylsalicyl derivatives of aminosugars and amino acids YU RUEY J (US) 2008-02-20 CN 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