SCHEMBL5075425

SCHEMBL5075425

CC(=O)Oc1c[nH]c(=O)[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.47
GAA P10253 2/20 0.47
ATAD2 Q6PL18 1/20 0.47
DPYD Q12882 4/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
CYP19A1 P11511 1/20 0.42
TSHR P16473 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
HTT P42858 1/20 0.42
HBB P68871 1/20 0.42
PMP22 Q01453 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.41
POLB P06746 2/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37

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
SCHEMBL28777458 0.85 GAA (0.44) GAAATAD2DPYDALDH1A1LMNA
SCHEMBL5202431 0.83 KDM3B (0.49) SLC22A6GAAALDH1A1MAPTTSHR
SCHEMBL1061623 0.82 GAA (0.48) GAAATAD2DPYDALDH1A1LMNA
SCHEMBL102177 0.81 ATAD2 (0.52) GAAATAD2DPYDALDH1A1LMNA
SCHEMBL17991917 0.78 GAA (0.45) GAAATAD2DPYDALDH1A1LMNA
Acetic Acid Methyl Ester SCHEMBL28329738 0.78 POLB (0.52) GAAATAD2LMNAMAPTTSHR
Acetic Acid SCHEMBL27871291 0.77 POLB (0.51) GAAATAD2DPYDALDH1A1LMNA
SCHEMBL31090687 0.76 DPYD (0.50) GAAATAD2DPYDALDH1A1LMNA
SCHEMBL17991880 0.75 HCAR2 (0.42) GAAATAD2DPYDALDH1A1LMNA
SCHEMBL190958 0.75 GAA (0.50) GAAATAD2DPYDALDH1A1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4460313-A1 CMT-3 FORMULATIONS AND METHODS OF USING THE SAME The Research Foundation for the State University of New York (US) 2024-11-13 EP disclosed
WO-2023133096-A1 CMT-3 FORMULATIONS AND METHODS OF USING THE SAME THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-07-13 WO disclosed
EP-1960415-A2 PHOSPHOLIPID GEL COMPOSITIONS FOR DELIVERY OF APTAMERS AND METHODS OF TREATING CONDITIONS USING SAME IDEXX Laboratories Inc (US) 2008-08-27 EP disclosed
WO-2007058800-A2 PHOSPHOLIPID GEL COMPOSITIONS FOR DELIVERY OF APTAMERS AND METHODS OF TREATING CONDITIONS USING SAME IDEXX LABORATORIES INC. (US) 2007-05-24 WO disclosed