SCHEMBL3857433

SCHEMBL3857433

CSCC[C@H](NCc1ccccc1OC(C)=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.48
FNTB P49356 2/20 0.48
PDCD1 Q15116 2/20 0.46
CD274 Q9NZQ7 2/20 0.46
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
PTGS2 P35354 1/20 0.40
ANPEP P15144 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
SCHEMBL3857431 1.00 FNTA (0.48) FNTAFNTBPDCD1CD274GAA
SCHEMBL5925687 0.88 ITGA4 (0.39) FNTAFNTBPDCD1CD274GAA
SCHEMBL5925685 0.88 ITGA4 (0.39) FNTAFNTBPDCD1CD274GAA
SCHEMBL3855144 0.86 ITGA4 (0.43) PDCD1CD274GAAKMT2ALMNA
SCHEMBL3855139 0.86 ITGA4 (0.43) PDCD1CD274GAAKMT2ALMNA
SCHEMBL3855138 0.85 FOLH1 (0.45) GAATSHRITGA4ITGB7PTGS2
SCHEMBL3855135 0.85 FOLH1 (0.45) GAATSHRITGA4ITGB7PTGS2
SCHEMBL3864432 0.85 ITGA4 (0.42) FNTAFNTBPDCD1CD274GAA
SCHEMBL3864439 0.85 ITGA4 (0.42) FNTAFNTBPDCD1CD274GAA
SCHEMBL3859676 0.83 PDCD1 (0.50) PDCD1CD274GAATSHRITGA4

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