SCHEMBL3950241

SCHEMBL3950241

CC(=O)Oc1ccccc1CNC(=O)C(CO)OCc1ccccc1OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TSHR P16473 2/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 3/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 2/20 0.40
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL3889168 0.82 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ATSHRPOLB
SCHEMBL3877295 0.82 PTGS2 (0.40) ALDH1A1MEN1KMT2ATSHRHPGD
SCHEMBL3950528 0.81 TSHR (0.44) ALDH1A1MEN1KMT2ATSHRPOLB
SCHEMBL3880102 0.74 TSHR (0.48) ALDH1A1MEN1KMT2ATSHRPOLB
SCHEMBL7540634 0.73 PTGS2 (0.42) ALDH1A1MEN1KMT2ATSHRHPGD
SCHEMBL7540628 0.73 PTGS2 (0.42) ALDH1A1MEN1KMT2ATSHRHPGD
SCHEMBL13322846 0.72 POLB (0.50) ALDH1A1TSHRPOLBHPGDHSD17B10
SCHEMBL5925716 0.72 KDM4E (0.38) ALDH1A1MEN1KMT2ATSHRPOLB
SCHEMBL5925714 0.72 KDM4E (0.38) ALDH1A1MEN1KMT2ATSHRPOLB
SCHEMBL6156962 0.72 NPSR1 (0.47) ALDH1A1MEN1KMT2ATSHRPOLB

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