Oxalic Acid

Oxalic Acid

SCHEMBL9388359

CC(=O)c1cc([N+](=O)[O-])ccc1OCCN1CCN(c2cc(=O)n(C)c(=O)n2C)CC1.O=C(O)C(=O)O

nearest known ligand 0.47

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
ALDH1A1 P00352 11/20 0.47
KDM4E B2RXH2 9/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.44
HTR1A P08908 2/20 0.43
HTR2A P28223 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 3/20 0.43
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9384119 0.97 HTR1A (0.45) ALDH1A1KDM4ETDP1MAPTGAA
Oxalic Acid SCHEMBL9387022 0.96 HTR1A (0.48) ALDH1A1KDM4ETDP1MAPTHTR1A
SCHEMBL9388964 0.93 HTR1A (0.50) ALDH1A1KDM4EMAPTHTR1AHTR2A
SCHEMBL9387918 0.92 HTR1A (0.51) ALDH1A1KDM4ETDP1HTR1AHTR2A
Oxalic Acid SCHEMBL9388553 0.89 ALDH1A1 (0.46) ALDH1A1KDM4ETDP1MAPTHTR1A
Oxalic Acid SCHEMBL9388560 0.89 ALDH1A1 (0.46) ALDH1A1KDM4ETDP1MAPTHTR1A
SCHEMBL9386487 0.88 ALDH1A1 (0.50) ALDH1A1KDM4ETDP1MAPTGAA
SCHEMBL9384577 0.87 HTR1A (0.46) ALDH1A1KDM4EMAPTHTR1AHTR2A
Oxalic Acid SCHEMBL9386065 0.87 ALDH1A1 (0.51) ALDH1A1KDM4ETDP1MAPTGAA
Oxalic Acid SCHEMBL9386061 0.87 ALDH1A1 (0.51) ALDH1A1KDM4ETDP1MAPTGAA

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