Oxalic Acid

Oxalic Acid

SCHEMBL4757267

CC(NO)c1ccccc1I.O=C(O)C(=O)O

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

The experimentally established mechanism targets of Oxalic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
KMT2A Q03164 5/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
HSD17B10 Q99714 1/20 0.34
APAF1 O14727 1/20 0.34
HTT P42858 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL4727352 0.91 GABRA1 (0.37) GAAKMT2ALMNAHTTPOLB
SCHEMBL3679108 0.76 ACACB (0.43) HTT
SCHEMBL1579875 0.76 POLB (0.41) GAAKMT2ALMNAMEN1APAF1
SCHEMBL3353093 0.73 TDP1 (0.67) GAAKMT2ALMNATDP1HTT
SCHEMBL647331 0.73 PTGS2 (0.47) KMT2ALMNAMEN1HSD17B10MMP9
SCHEMBL3346498 0.72 MAPT (0.47) HTTALDH1A1MAPTCYP2C19
SCHEMBL8131978 0.72 SLC1A3 (0.47) GAAKMT2ALMNAMEN1TDP1
SCHEMBL11205134 0.72 MAPT (0.47) HTTALDH1A1MAPTCYP2C19
SCHEMBL4090652 0.71 HTT (0.68) KMT2ALMNAMEN1HTTALDH1A1
SCHEMBL16054222 0.70 KEAP1 (0.36) GAAKMT2ALMNAMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008004067-A2 ALPHA-2-DELTA-1 SELECTIVE COMPOUNDS FOR DISORDERS OF THE NERVOUS SYSTEM PFIZER PRODUCTS INC. (US) 2008-01-10 WO disclosed