SCHEMBL3855387

SCHEMBL3855387

CC(=O)Oc1ccccc1C(=O)N1CCCC1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TSHR P16473 2/20 0.50
ITGB3 P05106 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ESR1 P03372 1/20 0.50
ITGA2B P08514 1/20 0.50
HMGB1 P09429 1/20 0.50
HPGD P15428 1/20 0.50
GGT1 P19440 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
BLM P54132 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ITGB1 P05556 1/20 0.46

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
SCHEMBL11640739 1.00 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRITGB3KDM4E
SCHEMBL7393837 0.84 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2TSHRHSD17B10MEN1
SCHEMBL19475145 0.81 MEN1 (0.53) ALDH1A1SMN1; SMN2TSHRITGB3MEN1
SCHEMBL19475146 0.81 MEN1 (0.53) ALDH1A1SMN1; SMN2TSHRITGB3MEN1
SCHEMBL20858858 0.81 ITGB1 (0.67) ALDH1A1SMN1; SMN2ITGB3HPGDKMT2A
SCHEMBL15743803 0.79 HTT (0.56) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL11638150 0.79 KDM4E (0.49) ALDH1A1TSHRITGB3KDM4EHSD17B10
SCHEMBL19475012 0.78 MEN1 (0.58) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL19475014 0.78 MEN1 (0.58) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL19474986 0.78 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2ITGB3L3MBTL1ITGB1

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