Oxalic Acid

Oxalic Acid

SCHEMBL9495380

COc1cc(OC)cc(C2(O)CN3CCC2CC3)c1.O=C(O)C(=O)O

nearest known ligand 0.49

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 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
CHRM1 P11229 5/20 0.48
CHRM2 P08172 3/20 0.48
CHRM4 P08173 3/20 0.48
CHRM5 P08912 3/20 0.48
CHRM3 P20309 3/20 0.48
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL9493275 0.93 KMT2A (0.55) KMT2ACHRM1CHRM2CHRM4CHRM5
Oxalic Acid SCHEMBL9495666 0.87 CHRM1 (0.50) KMT2ACHRM1CHRM2CHRM4CHRM5
Oxalic Acid SCHEMBL9494462 0.86 KMT2A (0.59) KMT2ACHRM1CHRM2CHRM4CHRM5
Oxalic Acid SCHEMBL9494625 0.81 CHRM1 (0.54) KMT2ACHRM1CHRM2CHRM4CHRM5
Oxalic Acid SCHEMBL9492481 0.80 ALDH1A1 (0.48) KMT2ACHRM1CHRM2CHRM4CHRM5
SCHEMBL9492494 0.80 CHRM1 (0.56) KMT2ACHRM1CHRM2CHRM4CHRM5
Oxalic Acid SCHEMBL9492735 0.79 CHRM2 (0.62) KMT2ACHRM1CHRM2CHRM4CHRM5
SCHEMBL9492525 0.79 KMT2A (0.68) KMT2ACHRM1CHRM2CHRM4CHRM5
SCHEMBL9430878 0.78 CHRM1 (0.56) KMT2ACHRM1CHRM2CHRM4CHRM5
SCHEMBL2421988 0.76 KMT2A (0.56) KMT2ACHRM1CHRM2CHRM4CHRM5

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
US-5177084-A 1-Azabicycles, Treating Mental Disorders MERCK SHARP & DOHME LTD. (GB) 1993-01-05 US disclosed
EP-0412797-A2 The therapeutic use of substituted benzenes, formulations thereof and novel substituted benzenes MERCK SHARP & DOHME LTD. (GB) 1991-02-13 EP disclosed