Oxalic Acid

Oxalic Acid

SCHEMBL9368451

CCCCCN1CCC(COc2ccc(Cl)c(Cl)c2)C1.O=C(O)C(=O)O

nearest known ligand 0.55

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 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 2/20 0.49
HRH3 Q9Y5N1 10/20 0.48
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46

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
SCHEMBL9370762 0.94 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2HRH3HSP90AA1
SCHEMBL9696871 0.89 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2POLBHRH3
Oxalic Acid SCHEMBL9373478 0.88 HRH3 (0.59) MEN1KMT2AHRH3
Hydrochloric Acid SCHEMBL27357671 0.88 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2POLBHRH3
Oxalic Acid SCHEMBL9697739 0.85 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
Oxalic Acid SCHEMBL9368390 0.84 KMT2A (0.56) KDM4EALDH1A1MEN1KMT2AHRH3
Oxalic Acid SCHEMBL9706775 0.84 HRH3 (0.54) KDM4EMEN1KMT2AHRH3
Oxalic Acid SCHEMBL9531846 0.83 HRH3 (0.64) MEN1KMT2AHRH3
Oxalic Acid SCHEMBL9368583 0.83 HRH3 (0.53) MEN1KMT2AHRH3
Oxalic Acid SCHEMBL7328948 0.83 DRD4 (0.54) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A

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
EP-0589971-A1 COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1994-04-06 EP disclosed
WO-1992022527-A2 3-SUBSTITUTED PYRROLIDINE DERIVATIVES AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1992-12-23 WO disclosed