Oxalic Acid

Oxalic Acid

SCHEMBL27399321

O=C(O)C(=O)O.c1csc(C2CCNCC2)c1

nearest known ligand 0.46

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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 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.46
SLC18A3 Q16572 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
JAK3 P52333 1/20 0.40
MAP1LC3B Q9GZQ8 1/20 0.39
BRD4 O60885 2/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CACNA2D1 P54289 1/20 0.38

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
SCHEMBL5467244 0.89 SLC18A3 (0.48) SLC18A3SIGMAR1POLBMAPTGAA
Hydrochloric Acid SCHEMBL2803164 0.87 SLC18A3 (0.47) SLC18A3SIGMAR1POLBMAPTGAA
SCHEMBL3648603 0.82 HTR3A (0.44) SLC18A3SIGMAR1POLBMAPTGAA
SCHEMBL1554818 0.76 POLB (0.50) HCAR2POLBMAPTGAAALDH1A1
Tert-Butyl Formate SCHEMBL27766934 0.75 ALDH1A1 (0.39) SLC18A3SIGMAR1POLBMAPTGAA
SCHEMBL497608 0.74
SCHEMBL17474594 0.74 MAPT (0.39) HCAR2MAPTBRD4
Acetic Acid SCHEMBL11173187 0.74 BRD4 (0.47) HCAR2POLBMAPTGAAALDH1A1
Hydrochloric Acid SCHEMBL11286601 0.72
SCHEMBL7014154 0.71 HTR6 (0.45) POLBMAPTGAA

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
CN-1052674-A New heterogeneous ring compound NOVO NORDISK AS (DK) 1991-07-03 CN disclosed