Oxalic Acid

Oxalic Acid

SCHEMBL7952034

Fc1ccc2occ(CCCCN3CCC4(CC3)OCc3ccccc34)c2c1.O=C(O)C(=O)O

nearest known ligand 0.56

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 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.56
TMEM97 Q5BJF2 1/20 0.56

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
SCHEMBL7435385 0.95 SIGMAR1 (0.61) SIGMAR1TMEM97
SCHEMBL7432761 0.92 SIGMAR1 (0.57) SIGMAR1TMEM97
SCHEMBL7431087 0.82 TMEM97 (0.49) SIGMAR1TMEM97
SCHEMBL7432961 0.78 TMEM97 (0.60) SIGMAR1TMEM97
SCHEMBL7435820 0.76 TMEM97 (0.87) SIGMAR1TMEM97
Oxalic Acid SCHEMBL7954233 0.75 MCHR1 (0.56) SIGMAR1TMEM97
SCHEMBL8687455 0.74 TMEM97 (0.87) SIGMAR1TMEM97
SCHEMBL467160 0.74 GRIN1 (0.70) SIGMAR1
SCHEMBL466857 0.73 HTR1A (0.65) SIGMAR1
SCHEMBL8011281 0.73 TMEM97 (0.53) SIGMAR1TMEM97

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-6207677-B1 ADMINISERING SIGMA RECEPTOR BINDING PIPERIDINE DERIVATIVE FOR TREATING ANXIETY, EPILEPSY, CONVULSION, MOVEMENT DISORDER, AMNESIA H. LUNDBECK A/S (DK) 2001-03-27 US disclosed