Oxalic Acid

Oxalic Acid

SCHEMBL9026499

COc1ccccc1N1CCN(CCC[NH+]([O-])c2ncccc2C(=O)N(C)C)CC1.O=C(O)C(=O)O

nearest known ligand 0.66

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 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
Hydrochloric Acid SCHEMBL9027812 0.81
SCHEMBL9027734 0.80 ADRA1D (0.75)
Hydrochloric Acid SCHEMBL9027255 0.80
Hydrochloric Acid SCHEMBL9026670 0.79 ADRA1D (0.74)
Hydrochloric Acid SCHEMBL9025955 0.79 KDM4E (0.65) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL9027618 0.76
Hydrochloric Acid SCHEMBL9026749 0.75
Oxalic Acid SCHEMBL9026931 0.75 DRD2 (0.73)
SCHEMBL9028641 0.75 DRD2 (0.59)
Oxalic Acid SCHEMBL9026393 0.75

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
EP-0711757-A1 3-(4-phenylpiperazin-1-yl)propyl-amino, thio and oxy -pyridine, pyrimidine and benzene derivatives as alpha1-adrenoceptor antagonists F. Hoffmann-La Roche AG (CH) 1996-05-15 EP disclosed