SCHEMBL3857136

SCHEMBL3857136

CC(=O)Oc1ccccc1CNC(C(=O)O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
POLB P06746 2/20 0.43
TSHR P16473 2/20 0.43
ESR1 P03372 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HMGB1 P09429 1/20 0.43
GGT1 P19440 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
BLM P54132 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MBTPS1 Q14703 1/20 0.42
ATM Q13315 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
SCHEMBL3857145 1.00 MEN1 (0.44) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL3854741 0.90 CD274 (0.44) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL3854747 0.90 CD274 (0.44) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL3862142 0.89 CYP2C9 (0.43) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL3862145 0.89 CYP2C9 (0.43) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL5925716 0.86 KDM4E (0.38) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL5925714 0.86 KDM4E (0.38) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL3862972 0.86 CD274 (0.46) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL3862979 0.86 CD274 (0.46) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL3857314 0.85 ATM (0.45) MEN1KMT2AALDH1A1KDM4EHPGD

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