Oxalic Acid

Oxalic Acid

SCHEMBL9385282

Cn1c(NCCCNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc(=O)n(C)c1=O.O=C(O)C(=O)O

nearest known ligand 0.51

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 0.47
CDK2 P24941 7/20 0.51
ALDH1A1 P00352 6/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 4/20 0.51
MEN1 O00255 3/20 0.51
LMNA P02545 2/20 0.51
CYP1A2 P05177 2/20 0.51
NPC1 O15118 1/20 0.51
TRPA1 O75762 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
THPO P40225 1/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
SLC22A2 O15244 1/20 0.47
ADRB1 P08588 1/20 0.47

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
Oxalic Acid SCHEMBL9385284 1.00 CDK2 (0.51) CDK2ALDH1A1KMT2AMAPTMEN1
SCHEMBL9384217 0.98 CDK2 (0.53) CDK2ALDH1A1KMT2AMAPTMEN1
Oxalic Acid SCHEMBL9384819 0.96 MAPT (0.49) CDK2ALDH1A1KMT2AMAPTMEN1
Oxalic Acid SCHEMBL9384824 0.96 MAPT (0.49) CDK2ALDH1A1KMT2AMAPTMEN1
SCHEMBL9384185 0.94 MAPT (0.51) CDK2ALDH1A1KMT2AMAPTMEN1
Oxalic Acid SCHEMBL9383591 0.91 MAPT (0.44) CDK2ALDH1A1KMT2AMAPTMEN1
Oxalic Acid SCHEMBL9383584 0.91 MAPT (0.44) CDK2ALDH1A1KMT2AMAPTMEN1
SCHEMBL9388630 0.88 MAPT (0.46) CDK2ALDH1A1KMT2AMAPTMEN1
SCHEMBL9382923 0.84 MAPT (0.47) CDK2ALDH1A1KMT2AMAPTMEN1
Oxalic Acid SCHEMBL9383577 0.84 CYP19A1 (0.46) CDK2ALDH1A1KMT2AMAPTMEN1

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