Oxalic Acid

Oxalic Acid

SCHEMBL9385689

Cn1c(NCCNCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O.O=C(O)C(=O)O

nearest known ligand 0.61

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 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 1/20 0.61
KCNH2 Q12809 3/20 0.61
SLC22A2 O15244 1/20 0.61
ADRB1 P08588 1/20 0.61
SLC47A2 Q86VL8 1/20 0.61
SLC47A1 Q96FL8 1/20 0.61
TAAR1 Q96RJ0 2/20 0.56
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 1/20 0.44
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL9383710 0.95 KCNH2 (0.64) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
Oxalic Acid SCHEMBL9385049 0.91 SLC22A2 (0.57) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL9386254 0.89 KCNH2 (0.66) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL9384586 0.89 KCNH2 (0.68) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
Hydrochloric Acid SCHEMBL9383350 0.88 KCNH2 (0.67) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL9870171 0.88 KCNH2 (0.67) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
Oxalic Acid SCHEMBL9385454 0.85 SLC22A2 (0.59) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL9387321 0.85 KCNH2 (0.68) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL9384396 0.85 SLC22A2 (0.59) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
Oxalic Acid SCHEMBL9389973 0.82 SLC22A2 (0.56) KCNH2SLC22A2ADRB1SLC6A4SLC47A2

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-0369627-B1 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS (JP) 1994-12-21 EP disclosed
US-5008267-A Pyrimidinedione compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-04-16 US disclosed
EP-0369627-A2 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-23 EP disclosed