Oxalic Acid

Oxalic Acid

SCHEMBL7001732

CCCCCN1CC[C@@H](CCOc2cccc(OC(C)C)c2)[C@@H](OC)C1.O=C(O)C(=O)O

nearest known ligand 0.49

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 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
HRH3 Q9Y5N1 12/20 0.48
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
NSD2 O96028 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.44

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 SCHEMBL6998748 1.00 KMT2A (0.49) KMT2AMEN1HRH3KDM4EALDH1A1
Oxalic Acid SCHEMBL6997388 0.92 KMT2A (0.47) KMT2AMEN1HRH3KDM4EALDH1A1
Oxalic Acid SCHEMBL6997385 0.92 KMT2A (0.47) KMT2AMEN1HRH3KDM4EALDH1A1
Oxalic Acid SCHEMBL7002201 0.92 HRH3 (0.57) KMT2AMEN1HRH3KDM4EALDH1A1
Oxalic Acid SCHEMBL6996106 0.92 HRH3 (0.57) KMT2AMEN1HRH3KDM4EALDH1A1
Oxalic Acid SCHEMBL6997960 0.89 HRH3 (0.61) HRH3KDM4EALDH1A1
Oxalic Acid SCHEMBL6997413 0.89 HRH3 (0.61) HRH3KDM4EALDH1A1
SCHEMBL6992384 0.88 MEN1 (0.40) KMT2AMEN1HRH3KDM4EALDH1A1
SCHEMBL6992387 0.88 MEN1 (0.40) KMT2AMEN1HRH3KDM4EALDH1A1
Oxalic Acid SCHEMBL6987238 0.86 KDM4E (0.49) KMT2AMEN1HRH3KDM4EALDH1A1

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-0853615-B1 PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROSEARCH AS (DK) 2003-12-10 EP disclosed
US-5981539-A TREATMENT OF STROKE, ANOXIA, ISCHEMIA, MIGRAINE, PSYCHOSIS, EPILEPSY OR ANY OTHER CONVULSIVE DISORDER NEUROSEARCH A/S (DK) 1999-11-09 US disclosed