Oxalic Acid

Oxalic Acid

SCHEMBL10567216

COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cc([N+](=O)[O-])ccc1OCCCCNCCCOc1ccccc1.O=C(O)C(=O)O

nearest known ligand 0.48

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
▸ ALDH1A1 P00352 8/20 0.48
▸ HTT P42858 2/20 0.48
▸ DRD2 P14416 1/20 0.48
▸ DRD4 P21917 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ KDM4E B2RXH2 9/20 0.44
▸ GAA P10253 2/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ L3MBTL1 Q9Y468 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
Oxalic Acid SCHEMBL10567218 1.00 ALDH1A1 (0.48) ALDH1A1HTTDRD2DRD4DRD3
SCHEMBL10565925 0.98 DRD2 (0.49) ALDH1A1HTTDRD2DRD4DRD3
Oxalic Acid SCHEMBL10566726 0.93 DRD2 (0.49) ALDH1A1HTTDRD2DRD4DRD3
Oxalic Acid SCHEMBL10566732 0.93 DRD2 (0.49) ALDH1A1HTTDRD2DRD4DRD3
SCHEMBL10566765 0.91 DRD2 (0.51) ALDH1A1HTTDRD2DRD4DRD3
SCHEMBL10566772 0.91 DRD2 (0.51) ALDH1A1HTTDRD2DRD4DRD3
Oxalic Acid SCHEMBL10564624 0.90 ATM (0.45) ALDH1A1HTTKDM4EKMT2AMEN1
Oxalic Acid SCHEMBL10564631 0.90 ATM (0.45) ALDH1A1HTTKDM4EKMT2AMEN1
SCHEMBL10567624 0.88 ADRB2 (0.43) ALDH1A1KMT2AMAPTMEN1CYP2D6
SCHEMBL10566298 0.88 ADRB2 (0.43) ALDH1A1KMT2AMAPTMEN1CYP2D6

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
US-4843085-A LOCAL ANESTHETICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1989-06-27 — — US disclosed
EP-0297613-A2 Pyridine derivatives, process for production thereof and pharmaceutical composition containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1989-01-04 — — EP disclosed
Send feedback