Oxalic Acid

Oxalic Acid

SCHEMBL6987238

CCCCCN1CC[C@H](CCOc2cccc(C(F)(F)F)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 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
HRH3 Q9Y5N1 11/20 0.47
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
UBE2M P61081 2/20 0.44
DCUN1D1 Q96GG9 2/20 0.44
MEN1 O00255 1/20 0.44
HTR1A P08908 1/20 0.43
HTR7 P34969 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 SCHEMBL6990511 1.00 KDM4E (0.49) KDM4EKMT2AALDH1A1GAALMNA
Oxalic Acid SCHEMBL7002201 0.89 HRH3 (0.57) KDM4EKMT2AALDH1A1GAAHRH3
Oxalic Acid SCHEMBL6996106 0.89 HRH3 (0.57) KDM4EKMT2AALDH1A1GAAHRH3
Oxalic Acid SCHEMBL6997960 0.88 HRH3 (0.61) KDM4EALDH1A1HRH3
Oxalic Acid SCHEMBL6997413 0.88 HRH3 (0.61) KDM4EALDH1A1HRH3
Oxalic Acid SCHEMBL7001732 0.86 KMT2A (0.49) KDM4EKMT2AALDH1A1GAAHRH3
Oxalic Acid SCHEMBL6998748 0.86 KMT2A (0.49) KDM4EKMT2AALDH1A1GAAHRH3
Oxalic Acid SCHEMBL6996581 0.84 HRH3 (0.48) KDM4EKMT2AALDH1A1GAALMNA
Oxalic Acid SCHEMBL7001883 0.84 HRH3 (0.48) KDM4EKMT2AALDH1A1GAALMNA
Oxalic Acid SCHEMBL6998745 0.83 KMT2A (0.60) KMT2AHRH3MEN1

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