Oxalic Acid

Oxalic Acid

SCHEMBL3812194

CC(O)CN(C)CCOCCc1ccc2sccc2c1.O=C(O)C(=O)O

nearest known ligand 0.46

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 13)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 known ✓ P35372 1/20 0.35
▸ SIGMAR1 Q99720 2/20 0.46
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP2A6 P11509 1/20 0.36
▸ OPRK1 P41145 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ CTNNB1 P35222 1/20 0.33
▸ WNT3A P56704 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33

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
SCHEMBL3812823 0.95 SIGMAR1 (0.48) SIGMAR1KDM4EALDH1A1CYP2A6OPRM1
Oxalic Acid SCHEMBL3813198 0.87 SIGMAR1 (0.48) SIGMAR1KDM4ECYP2A6OPRM1OPRK1
Oxalic Acid SCHEMBL3807582 0.86 SIGMAR1 (0.48) SIGMAR1KDM4EALDH1A1CYP2A6OPRM1
Oxalic Acid SCHEMBL6776153 0.84 SIGMAR1 (0.46) SIGMAR1KDM4EALDH1A1CYP2A6OPRM1
Oxalic Acid SCHEMBL3813466 0.84 KDM4E (0.48) SIGMAR1KDM4EALDH1A1MEN1KMT2A
Oxalic Acid SCHEMBL3808414 0.84 SIGMAR1 (0.48) SIGMAR1KDM4ECYP2A6OPRM1OPRK1
Oxalic Acid SCHEMBL3811672 0.82 SIGMAR1 (0.45) SIGMAR1KDM4EALDH1A1
SCHEMBL3808299 0.82 SIGMAR1 (0.45) SIGMAR1CYP2A6OPRM1OPRK1MMP2
Oxalic Acid SCHEMBL3813189 0.82 SIGMAR1 (0.44) SIGMAR1KDM4EMEN1KMT2A
Oxalic Acid SCHEMBL3812890 0.81 SIGMAR1 (0.48) SIGMAR1CYP2A6

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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