SCHEMBL3855916

SCHEMBL3855916

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
HPGD P15428 3/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
LTA4H P09960 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ESR1 P03372 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
HMGB1 P09429 1/20 0.41
TSHR P16473 1/20 0.41
GGT1 P19440 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL3855918 1.00 ANPEP (0.46) ANPEPTDP1ITGA4ITGB7HPGD
SCHEMBL3859676 0.86 PDCD1 (0.50) TDP1ITGA4ITGB7HPGDALDH1A1
SCHEMBL3858901 0.86 ITGA4 (0.44) TDP1ITGA4ITGB7HPGDHTT
SCHEMBL3859672 0.86 PDCD1 (0.50) TDP1ITGA4ITGB7HPGDALDH1A1
SCHEMBL3858906 0.86 ITGA4 (0.44) TDP1ITGA4ITGB7HPGDHTT
SCHEMBL3858453 0.85 ITGA4 (0.44) TDP1ITGA4ITGB7HPGDHTT
SCHEMBL3858460 0.85 ITGA4 (0.44) TDP1ITGA4ITGB7HPGDHTT
SCHEMBL3857454 0.84 ITGA4 (0.57) TDP1ITGA4ITGB7HPGDALDH1A1
SCHEMBL3857463 0.84 ITGA4 (0.57) TDP1ITGA4ITGB7HPGDALDH1A1
SCHEMBL3855144 0.84 ITGA4 (0.43) TDP1ITGA4ITGB7HPGDHTT

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