SCHEMBL3855138

SCHEMBL3855138

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 7/20 0.45
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42
NAALAD2 Q9Y3Q0 2/20 0.42
GGH Q92820 1/20 0.42
PTGS2 P35354 2/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
ADAMTS4 O75173 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ESR1 P03372 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
HMGB1 P09429 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
GGT1 P19440 1/20 0.40

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
SCHEMBL3855135 1.00 FOLH1 (0.45) FOLH1ITGA4ITGB7NAALAD2GGH
SCHEMBL3857999 0.90 KMT2A (0.43) FOLH1ITGA4ITGB7PTGS2GAA
SCHEMBL3858005 0.90 KMT2A (0.43) FOLH1ITGA4ITGB7PTGS2GAA
SCHEMBL3855139 0.88 ITGA4 (0.43) ITGA4ITGB7PTGS2GAAALDH1A1
SCHEMBL3855144 0.88 ITGA4 (0.43) ITGA4ITGB7PTGS2GAAALDH1A1
SCHEMBL3864439 0.87 ITGA4 (0.42) ITGA4ITGB7PTGS2GAAALDH1A1
SCHEMBL3864432 0.87 ITGA4 (0.42) ITGA4ITGB7PTGS2GAAALDH1A1
SCHEMBL3858453 0.87 ITGA4 (0.44) ITGA4ITGB7PTGS2GAAALDH1A1
SCHEMBL3858460 0.87 ITGA4 (0.44) ITGA4ITGB7PTGS2GAAALDH1A1
SCHEMBL3859672 0.85 PDCD1 (0.50) ITGA4ITGB7PTGS2GAAALDH1A1

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