SCHEMBL3855374

SCHEMBL3855374

CCOC(=O)CC[C@H](NCc1ccccc1OC(C)=O)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.43
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3855371 1.00 L3MBTL1 (0.45) L3MBTL1KMT2APOLBCYP4F2CYP4A11
SCHEMBL7206518 0.85 ITGA4 (0.42) L3MBTL1KMT2APOLBITGA4ITGB7
SCHEMBL7206519 0.85 ITGA4 (0.42) L3MBTL1KMT2APOLBITGA4ITGB7
SCHEMBL3940876 0.81 ITGA4 (0.39) L3MBTL1KMT2APOLBITGA4ITGB7
SCHEMBL3864783 0.81 ITGA4 (0.51) L3MBTL1KMT2AITGA4ITGB7ALDH1A1
SCHEMBL3940880 0.81 ITGA4 (0.39) L3MBTL1KMT2APOLBITGA4ITGB7
SCHEMBL3862081 0.81 ITGA4 (0.51) L3MBTL1KMT2AITGA4ITGB7ALDH1A1
SCHEMBL3877806 0.80 KDM4E (0.36) L3MBTL1KMT2APOLBITGA4ITGB7
SCHEMBL7205432 0.80 ITGA4 (0.38) L3MBTL1KMT2APOLBITGA4ITGB7
SCHEMBL7205429 0.80 ITGA4 (0.38) L3MBTL1KMT2APOLBITGA4ITGB7

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