SCHEMBL3940876

SCHEMBL3940876

CC(=O)Oc1ccccc1CNC(CCC(N)=O)C(=O)OCc1ccccc1OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
HPGD P15428 4/20 0.34
KDM4E B2RXH2 3/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
RCE1 Q9Y256 1/20 0.34
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 2/20 0.33
CACNA1B Q00975 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
MEN1 O00255 1/20 0.33
TACR1 P25103 1/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL3940880 1.00 ITGA4 (0.39) ITGA4ITGB7ADRB2ADRB1ADRB3
SCHEMBL3857999 0.87 KMT2A (0.43) ITGA4ITGB7HPGDKDM4EKMT2A
SCHEMBL3858005 0.87 KMT2A (0.43) ITGA4ITGB7HPGDKDM4EKMT2A
SCHEMBL3889502 0.82 PTGS2 (0.37) ADRB2ADRB1ADRB3HPGDKDM4E
SCHEMBL3889499 0.82 PTGS2 (0.37) ADRB2ADRB1ADRB3HPGDKDM4E
SCHEMBL3855374 0.81 L3MBTL1 (0.45) ITGA4ITGB7HPGDKDM4EKMT2A
SCHEMBL3855371 0.81 L3MBTL1 (0.45) ITGA4ITGB7HPGDKDM4EKMT2A
SCHEMBL3877806 0.79 KDM4E (0.36) ITGA4ITGB7KDM4EKMT2AALDH1A1
SCHEMBL3855138 0.77 FOLH1 (0.45) ITGA4ITGB7HPGDKDM4EALDH1A1
SCHEMBL3855135 0.77 FOLH1 (0.45) ITGA4ITGB7HPGDKDM4EALDH1A1

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