Oxalic Acid

Oxalic Acid

SCHEMBL9388181

Cn1c(N2CCN(CCOC(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc(=O)n(C)c1=O.O=C(O)C(=O)O

nearest known ligand 0.50

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 15)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.50
KCNH2 Q12809 1/20 0.50
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
MAPT P10636 2/20 0.46
BCHE P06276 2/20 0.44
HRH1 P35367 5/20 0.44
SIGMAR1 Q99720 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR1A P08908 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL9384356 0.97 KCNJ1 (0.53) KCNJ1KCNH2KDM4EALDH1A1TDP1
SCHEMBL9388604 0.82 KMT2A (0.60) KCNJ1KCNH2ALDH1A1MAPTHRH1
Oxalic Acid SCHEMBL9385064 0.82 KDM4E (0.58) KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL9386459 0.81 LTA4H (0.58) KCNJ1KCNH2KDM4EALDH1A1TDP1
Oxalic Acid SCHEMBL9388424 0.81 KCNJ1 (0.57) KCNJ1KCNH2KDM4EHRH1SIGMAR1
Oxalic Acid SCHEMBL9387071 0.81 KDM4E (0.45) KDM4EALDH1A1TDP1MAPTHRH1
SCHEMBL9384076 0.81 POLB (0.57) KDM4EALDH1A1MAPTHRH1HTR1A
Hydrochloric Acid SCHEMBL9384427 0.81 LTA4H (0.57) KCNJ1KCNH2KDM4EALDH1A1TDP1
SCHEMBL9431507 0.80 HRH1 (0.44) ALDH1A1HRH1ATMKMT2AMEN1
Hydrochloric Acid SCHEMBL9384967 0.80 POLB (0.56) KDM4EALDH1A1MAPTHRH1HTR1A

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