Oxalic Acid

Oxalic Acid

SCHEMBL8911634

Cc1cc(C)cc(COCC(NCC(=O)NC(=O)c2ccccc2)C(c2ccccc2)c2ccccc2)c1.O=C(O)C(=O)O

nearest known ligand 0.69

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 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.69
CACNA1F O60840 3/20 0.69
CACNA1D Q01668 3/20 0.69
CACNA1S Q13698 3/20 0.69
CACNA1C Q13936 3/20 0.69
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL8910724 0.84 TACR1 (0.83) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL8965437 0.83 TACR1 (0.73) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL8965439 0.83 TACR1 (0.81) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL8911221 0.83 TACR1 (0.78) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL8910627 0.82 TACR1 (0.86) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9543467 0.79 TACR1 (0.73) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL8965316 0.77 TACR1 (1.00) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL8923781 0.76 TACR1 (1.00) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL8911386 0.76 TACR1 (0.69) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL8911126 0.76 TACR1 (1.00) TACR1CACNA1FCACNA1DCACNA1SCACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5629347-A TACHYKININ ANTAGONIST USED IN TREATMENT OF INFLAMMATION, MIGRAINE, POSTHERPETIC NEURALGIA MERCK SHARP & DOHME LTD. (GB) 1997-05-13 US disclosed
EP-0593557-B1 AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY MERCK SHARP & DOHME (GB) 1996-01-31 EP disclosed
WO-1993001160-A1 AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY MERCK SHARP & DOHME LIMITED (GB) 1993-01-21 WO disclosed
EP-0522808-A2 Aromatic compounds, pharmaceutical compositions containing them and their use in therapy MERCK SHARP & DOHME LTD. (GB) 1993-01-13 EP disclosed