Oxalic Acid

Oxalic Acid

SCHEMBL11490223

CCC(=O)C1(c2ccsc2-c2ccccc2)CCN(CC2CCCO2)CC1.O=C(O)C(=O)O

nearest known ligand 0.43

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
SIGMAR1 Q99720 4/20 0.43
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 6/20 0.40
HSD17B10 Q99714 3/20 0.40
GAA P10253 3/20 0.40
CASP1 P29466 2/20 0.40
HPGD P15428 2/20 0.40
CASP7 P55210 1/20 0.39
SLC18A3 Q16572 1/20 0.37
ROCK1 Q13464 1/20 0.37
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
FEN1 P39748 1/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL11475291 0.98 SIGMAR1 (0.45) SIGMAR1ALDH1A1KDM4EHSD17B10GAA
Oxalic Acid SCHEMBL11490187 0.86 SLC18A3 (0.39) SIGMAR1SLC18A3
SCHEMBL11476416 0.84 SLC18A3 (0.40) SIGMAR1SLC18A3
SCHEMBL11478493 0.80 OPRM1 (0.46) SLC18A3
Oxalic Acid SCHEMBL11490161 0.80 OPRM1 (0.43) ALDH1A1KDM4ESLC18A3POLBSMN1; SMN2
Oxalic Acid SCHEMBL11478570 0.79 SIGMAR1 (0.46) SIGMAR1ALDH1A1KDM4EHSD17B10GAA
Oxalic Acid SCHEMBL11490220 0.79 SIGMAR1 (0.46) SIGMAR1ALDH1A1KDM4EHSD17B10GAA
SCHEMBL11477995 0.77 OPRM1 (0.44) SLC18A3POLBSMN1; SMN2
SCHEMBL11475284 0.77 SIGMAR1 (0.48) SIGMAR1ALDH1A1KDM4EHSD17B10GAA
SCHEMBL11471888 0.77 SIGMAR1 (0.48) SIGMAR1ALDH1A1KDM4EHSD17B10SLC18A3

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
US-4198419-A Phenylthiophenylpiperidines AMERICAN HOECHST CORPORATION (US) 1980-04-15 US disclosed