SCHEMBL3889499

SCHEMBL3889499

CC(=O)Oc1ccccc1COC(=O)C(N)CCC(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.37
KDM4E B2RXH2 3/20 0.37
BLM P54132 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ESR1 P03372 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
HMGB1 P09429 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
GGT1 P19440 1/20 0.37
PTGS1 P23219 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC1A5 Q15758 5/20 0.37
LTA4H P09960 3/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35

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
SCHEMBL3889502 1.00 PTGS2 (0.37) PTGS2KDM4EBLMHSD17B10ALDH1A1
SCHEMBL3940876 0.82 ITGA4 (0.39) PTGS2KDM4EBLMHSD17B10ALDH1A1
SCHEMBL3940880 0.82 ITGA4 (0.39) PTGS2KDM4EBLMHSD17B10ALDH1A1
SCHEMBL2797501 0.77 ALDH1A1 (0.53) PTGS2KDM4EBLMHSD17B10ALDH1A1
SCHEMBL3855585 0.76 ALOX15 (0.49) PTGS2KDM4EBLMHSD17B10ALDH1A1
SCHEMBL4989088 0.75 LTA4H (0.48) BLMALDH1A1TDP1LTA4HALOX15
SCHEMBL4989084 0.75 LTA4H (0.48) BLMALDH1A1TDP1LTA4HALOX15
Hydrochloric Acid SCHEMBL9188911 0.74 LTA4H (0.47) BLMALDH1A1TDP1LTA4HALOX15
Hydrochloric Acid SCHEMBL7393352 0.74 LTA4H (0.47) BLMALDH1A1TDP1LTA4HALOX15
SCHEMBL28520757 0.73 ALDH1A1 (0.49) PTGS2KDM4EBLMHSD17B10ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060166901-A1 Compositions comprising O-acetylsalicyl derivatives of aminocarbohydrates and amino acids YU RUEY J 2006-07-27 US 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