SCHEMBL3855463

SCHEMBL3855463

CC(=O)Oc1ccccc1CSCC(N)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 11/20 0.46
KLKB1 P03952 1/20 0.43
PTGS2 P35354 5/20 0.42
PTGS1 P23219 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ESR1 P03372 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
HMGB1 P09429 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
GGT1 P19440 1/20 0.42
BLM P54132 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41

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
SCHEMBL3855466 1.00 KIF11 (0.46) KIF11KLKB1PTGS2PTGS1KDM4E
SCHEMBL3855403 0.87 PTGS2 (0.42) PTGS2PTGS1KDM4EALDH1A1ESR1
SCHEMBL3855400 0.87 PTGS2 (0.42) PTGS2PTGS1KDM4EALDH1A1ESR1
SCHEMBL11860377 0.86 KIF11 (0.49) KIF11KLKB1
SCHEMBL11860380 0.86 KIF11 (0.49) KIF11KLKB1
SCHEMBL6031809 0.82 PTGS2 (0.50) PTGS2PTGS1KDM4EALDH1A1ESR1
SCHEMBL14599983 0.81 NOS3 (0.56) PTGS2PTGS1KDM4EALDH1A1ESR1
SCHEMBL12667853 0.81 NOS3 (0.56) PTGS2PTGS1KDM4EALDH1A1ESR1
SCHEMBL6743371 0.81 KIF11 (0.43) KIF11KLKB1
SCHEMBL2397235 0.81 KIF11 (0.43) KIF11KLKB1

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 7 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
WO-2006074114-A2 COMPOSITIONS COMPRISING O-ACETYLSALICYL DERIVATIVES OF AMINOCARBOHYDRATES AND AMINO ACIDS YU RUEY J (US) 2006-07-13 WO disclosed