SCHEMBL9467946

SCHEMBL9467946

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.48
PGD P52209 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
GABRR1 P24046 2/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.32
CPT2 P23786 1/20 0.31
ACLY P53396 1/20 0.31

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
SCHEMBL110956 0.80 SLC22A6 (0.52) SLC22A6PGDSMN1; SMN2GABRR1LMNA
SCHEMBL27811562 0.78 SLC22A6 (0.50) SLC22A6PGDSMN1; SMN2GABRR1LMNA
SCHEMBL27787811 0.78 SLC22A6 (0.50) SLC22A6PGDSMN1; SMN2GABRR1LMNA
SCHEMBL27433784 0.78 SLC22A6 (0.50) SLC22A6PGDSMN1; SMN2GABRR1LMNA
Oxalic Acid SCHEMBL27805597 0.71 SLC22A6 (0.42) SLC22A6PGDSMN1; SMN2GABRR1LMNA
Dichloroacetic Acid SCHEMBL9558904 0.71 SLC22A6 (0.42) SLC22A6PGDSMN1; SMN2GABRR1LMNA
SCHEMBL10576547 0.70 SLC22A6 (0.46) SLC22A6PGDSMN1; SMN2GABRR1LMNA
SCHEMBL10423093 0.70 SLC22A6 (0.93) SLC22A6SMN1; SMN2GABRR1LMNATDP1
SCHEMBL4442944 0.68 SLC22A6 (0.43) SLC22A6PGDSMN1; SMN2GABRR1LMNA
SCHEMBL321641 0.67 SLC22A6 (0.48) SLC22A6PGDSMN1; SMN2GABRR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993017332-A1 GAS CHROMATOGRAPHY/MASS SPECTROMETRY DETERMINATION OF ASCORBATE AND OXIDATION PRODUCTS THEREOF UNIVERSITY OF COLORADO FOUNDATION, INC. (US) 1993-09-02 WO disclosed
US-5212096-A Purification and quantitative analysis UNIVERSITY OF COLORADO FOUNDATION, INC. (US) 1993-05-18 US disclosed