Oxalic Acid

Oxalic Acid

SCHEMBL6998445

CCCCCN1CC[C@H](CCOc2ccc(Cl)c(C)c2)[C@@H](OC)C1.O=C(O)C(=O)O

nearest known ligand 0.57

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 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
POLB P06746 1/20 0.57
HRH3 Q9Y5N1 12/20 0.46
ALDH1A1 P00352 2/20 0.45
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
ADRA1A P35348 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.41

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 SCHEMBL6991411 1.00 KDM4E (0.57) KDM4ESMN1; SMN2POLBHRH3ALDH1A1
Oxalic Acid SCHEMBL7094320 0.93 KDM4E (0.53) KDM4ESMN1; SMN2POLBHRH3ALDH1A1
Oxalic Acid SCHEMBL6992880 0.93 KDM4E (0.53) KDM4ESMN1; SMN2POLBHRH3ALDH1A1
Oxalic Acid SCHEMBL7094323 0.93 KDM4E (0.53) KDM4ESMN1; SMN2POLBHRH3ALDH1A1
Oxalic Acid SCHEMBL6997680 0.93 KDM4E (0.53) KDM4ESMN1; SMN2POLBHRH3ALDH1A1
Oxalic Acid SCHEMBL7087968 0.93 KDM4E (0.53) KDM4ESMN1; SMN2POLBHRH3ALDH1A1
Oxalic Acid SCHEMBL7087972 0.93 KDM4E (0.53) KDM4ESMN1; SMN2POLBHRH3ALDH1A1
Oxalic Acid SCHEMBL7087974 0.93 KDM4E (0.53) KDM4ESMN1; SMN2POLBHRH3ALDH1A1
Oxalic Acid SCHEMBL6994186 0.88 HRH3 (0.58) HRH3KMT2AMEN1
Oxalic Acid SCHEMBL6991838 0.88 HRH3 (0.58) HRH3KMT2AMEN1

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