Oxalic Acid

Oxalic Acid

SCHEMBL3812890

CCCN(CCC)CCOCCc1ccc2sccc2c1.O=C(O)C(=O)O

nearest known ligand 0.48

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 2/20 0.48
▸ CYP2A6 P11509 1/20 0.39

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
SCHEMBL3812405 0.93 SIGMAR1 (0.50) SIGMAR1CYP2A6
Oxalic Acid SCHEMBL3812446 0.88 SIGMAR1 (0.46) SIGMAR1CYP2A6
Oxalic Acid SCHEMBL3813198 0.86 SIGMAR1 (0.48) SIGMAR1CYP2A6
Oxalic Acid SCHEMBL3817540 0.85 SIGMAR1 (0.52) SIGMAR1CYP2A6
SCHEMBL3807907 0.84 SIGMAR1 (0.51) SIGMAR1CYP2A6
Oxalic Acid SCHEMBL3807582 0.83 SIGMAR1 (0.48) SIGMAR1CYP2A6
SCHEMBL3817737 0.83 SIGMAR1 (0.53) SIGMAR1CYP2A6
Oxalic Acid SCHEMBL3816149 0.83 KDM4E (0.40) SIGMAR1
Hydrochloric Acid SCHEMBL3818441 0.82 SIGMAR1 (0.52) SIGMAR1CYP2A6
Oxalic Acid SCHEMBL3816423 0.82 SIGMAR1 (0.45) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1186594-B1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO LTD (JP) 2009-08-05 — — EP disclosed
US-6797726-B1 N-alkoxyalkyl-N,N-dialkylamine derivatives or salts thereof, and remedies for nerve degeneration diseases containing the same TOYAMA CHEMICAL CO., LTD. (JP) 2004-09-28 — — US disclosed
EP-1186594-A1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 2002-03-13 — — EP disclosed
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