Oxalic Acid

Oxalic Acid

SCHEMBL7087972

CCCCCN1CCC(CCOc2ccc(Cl)c(Cl)c2)[C@@H](OC)C1.CCCCCN1CCC(CCOc2ccc(Cl)c(Cl)c2)[C@@H](OC)C1.O=C(O)C(=O)O

nearest known ligand 0.53

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
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 2/20 0.48
HRH3 Q9Y5N1 11/20 0.47
HCRTR1 O43613 1/20 0.43

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 SCHEMBL6992880 1.00 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
Oxalic Acid SCHEMBL7087974 1.00 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
Oxalic Acid SCHEMBL7094320 1.00 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
Oxalic Acid SCHEMBL6997680 1.00 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
Oxalic Acid SCHEMBL7087968 1.00 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
Oxalic Acid SCHEMBL7094323 1.00 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6994481 0.94 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6994476 0.94 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6999454 0.94 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
Oxalic Acid SCHEMBL6998445 0.93 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1

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 4 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
EP-0853615-A1 PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 1998-07-22 EP disclosed
WO-1997010212-A1 PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 1997-03-20 WO disclosed