Oxalic Acid

Oxalic Acid

SCHEMBL3813644

CN(CCOCCc1ccc2sccc2c1)Cc1ccc([N+](=O)[O-])cc1.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 17)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.48
▸ KCNH2 Q12809 3/20 0.43
▸ SIGMAR1 Q99720 4/20 0.42
▸ TMEM97 Q5BJF2 2/20 0.40
▸ CDC25C P30307 2/20 0.39
▸ PYCR1 P32322 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ATM Q13315 1/20 0.37
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36

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
SCHEMBL3807994 0.95 KCNH2 (0.47) ACHEKCNH2SIGMAR1TMEM97CDC25C
Oxalic Acid SCHEMBL3813466 0.88 KDM4E (0.48) SIGMAR1KDM4EMEN1KMT2AATM
Oxalic Acid SCHEMBL3811672 0.86 SIGMAR1 (0.45) SIGMAR1KDM4EATM
Oxalic Acid SCHEMBL3813189 0.85 SIGMAR1 (0.44) ACHESIGMAR1KDM4EMEN1KMT2A
Oxalic Acid SCHEMBL3813198 0.83 SIGMAR1 (0.48) SIGMAR1KDM4E
SCHEMBL3812050 0.83 SIGMAR1 (0.47) ACHESIGMAR1KDM4EBLMATM
Oxalic Acid SCHEMBL3807582 0.82 SIGMAR1 (0.48) SIGMAR1KDM4EMEN1KMT2ATDP1
Oxalic Acid SCHEMBL3808414 0.80 SIGMAR1 (0.48) SIGMAR1KDM4E
SCHEMBL3812877 0.80 SIGMAR1 (0.46) SIGMAR1PYCR1KDM4E
Oxalic Acid SCHEMBL3812194 0.79 SIGMAR1 (0.46) SIGMAR1KDM4EMEN1KMT2A

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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