Oxalic Acid

Oxalic Acid

SCHEMBL8934827

CC(=NO)c1cccc(OCCCc2c[nH]cn2)c1.CC(=O)c1cccc(NCCCc2c[nH]cn2)c1.CC(=O)c1cccc(SCCc2c[nH]cn2)c1.CCc1cccc(NCCCc2c[nH]cn2)c1.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O

nearest known ligand 0.38

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
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 1/20 0.34
NR1H4 Q96RI1 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KMT2A Q03164 1/20 0.33
RAB9A P51151 2/20 0.33
MAOB P27338 4/20 0.32
ATM Q13315 1/20 0.32
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
MAOA P21397 1/20 0.31

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 SCHEMBL8934852 1.00 POLB (0.35) POLBALDH1A1KDM4EGAANR1H4
Oxalic Acid SCHEMBL8795918 0.90 MAOB (0.35) ALDH1A1KDM4EGAAKMT2AMAOB
Oxalic Acid SCHEMBL8795914 0.90 MAOB (0.35) ALDH1A1KDM4EGAAKMT2AMAOB
Oxalic Acid SCHEMBL8934783 0.90 MAPT (0.34) POLBALDH1A1KDM4EGAASMN1; SMN2
Oxalic Acid SCHEMBL7987278 0.79 KMT2A (0.41) ALDH1A1KDM4ESMN1; SMN2KMT2AMAOB
Oxalic Acid SCHEMBL7987283 0.79 KMT2A (0.41) ALDH1A1KDM4ESMN1; SMN2KMT2AMAOB
SCHEMBL8794353 0.77 MAOB (0.47) POLBALDH1A1KDM4ESMN1; SMN2KMT2A
Oxalic Acid SCHEMBL7991119 0.77 SMN1; SMN2 (0.40) POLBALDH1A1KDM4EGAASMN1; SMN2
Oxalic Acid SCHEMBL7988233 0.75 HRH3 (0.41) POLBALDH1A1KMT2ARAB9AMAOB
SCHEMBL4543078 0.74 PRSS1 (0.38) ALDH1A1KMT2ARAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO claimed
WO-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO disclosed