SCHEMBL3857014

SCHEMBL3857014

CC(=O)Oc1ccccc1COCCC(N)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A5 Q15758 13/20 0.45
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
PTGS1 P23219 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ESR1 P03372 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
HMGB1 P09429 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
GGT1 P19440 1/20 0.41
PTGS2 P35354 1/20 0.41
BLM P54132 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC1A1 P43005 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
SCHEMBL3857015 1.00 SLC1A5 (0.45) SLC1A5NOS3NOS1NOS2PTGS1
SCHEMBL3856638 0.86 SLC1A1 (0.45) SLC1A5NOS3NOS1NOS2PTGS1
SCHEMBL3856640 0.86 SLC1A1 (0.45) SLC1A5NOS3NOS1NOS2PTGS1
SCHEMBL12667853 0.80 NOS3 (0.56) NOS3NOS1NOS2PTGS1KDM4E
SCHEMBL14599983 0.80 NOS3 (0.56) NOS3NOS1NOS2PTGS1KDM4E
SCHEMBL5925689 0.80 ITGA4 (0.40) PTGS1KDM4EALDH1A1ESR1ITGB3
SCHEMBL5925693 0.80 ITGA4 (0.40) PTGS1KDM4EALDH1A1ESR1ITGB3
SCHEMBL6665890 0.80 PTGS2 (0.52) PTGS1KDM4EALDH1A1ESR1ITGB3
SCHEMBL3855403 0.78 PTGS2 (0.42) SLC1A5NOS3NOS1NOS2PTGS1
SCHEMBL3855400 0.78 PTGS2 (0.42) SLC1A5NOS3NOS1NOS2PTGS1

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