SCHEMBL3862976

SCHEMBL3862976

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.64
KDM4E B2RXH2 5/20 0.64
HPGD P15428 5/20 0.64
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
ALDH1A1 P00352 5/20 0.58
TSHR P16473 2/20 0.58
PTGS1 P23219 2/20 0.58
ESR1 P03372 1/20 0.58
ITGB3 P05106 1/20 0.58
ITGA2B P08514 1/20 0.58
HMGB1 P09429 1/20 0.58
GGT1 P19440 1/20 0.58
PTGS2 P35354 1/20 0.58
BLM P54132 1/20 0.58
NAPRT Q6XQN6 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
LMNA P02545 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL10978487 1.00 HSD17B10 (0.64) HSD17B10KDM4EHPGDKMT2AMEN1
SCHEMBL10981554 0.94 KDM4E (0.59) HSD17B10KDM4EHPGDKMT2AMEN1
SCHEMBL13453155 0.89 HSD17B10 (0.66) HSD17B10KDM4EHPGDKMT2AMEN1
SCHEMBL23763760 0.87 HSD17B10 (0.71) HSD17B10KDM4EHPGDKMT2AMEN1
SCHEMBL18196450 0.87 MAPK1 (0.61) HSD17B10KDM4EHPGDKMT2AMEN1
SCHEMBL7670391 0.87 MAPK1 (0.61) HSD17B10KDM4EHPGDKMT2AMEN1
SCHEMBL13453150 0.87 HPGD (0.67) HSD17B10KDM4EHPGDKMT2AMEN1
SCHEMBL3857142 0.85 HPGD (0.61) HSD17B10KDM4EHPGDKMT2AMEN1
SCHEMBL2251629 0.84 HPGD (0.70) HSD17B10HPGDKMT2AALDH1A1TSHR
SCHEMBL2792267 0.84 HPGD (0.70) HSD17B10HPGDKMT2AALDH1A1TSHR

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