Oxalic Acid

Oxalic Acid

SCHEMBL5406547

O=C(O)C(=O)O.O=S(=O)(NCCCCCCN1CCc2ccccc2C1)c1ccc2ccccc2c1

nearest known ligand 0.88

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 7)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 14/20 0.88
HTR6 P50406 4/20 0.69
POLB P06746 1/20 0.56
HTR1A P08908 2/20 0.54
ADRA2A P08913 2/20 0.54
DRD2 P14416 2/20 0.54
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL8982893 0.95 HTR7 (0.98) HTR7HTR6POLBHTR1AADRA2A
SCHEMBL5406986 0.95 HTR7 (0.98) HTR7HTR6POLBHTR1AADRA2A
SCHEMBL8979740 0.94 HTR7 (1.00) HTR7HTR6POLBHTR1AADRA2A
SCHEMBL10035548 0.91 HTR7 (1.00) HTR7HTR6POLBHTR1A
Hydrochloric Acid SCHEMBL2140989 0.90 HTR7 (0.98) HTR7HTR6POLBHTR1A
SCHEMBL8980016 0.84 HTR7 (0.97) HTR7HTR6HTR1AALDH1A1
Hydrochloric Acid SCHEMBL4228770 0.83 HTR7 (0.95) HTR7HTR6HTR1AALDH1A1
SCHEMBL8979759 0.83 HTR7 (1.00) HTR7HTR6HTR1A
SCHEMBL8980718 0.82 HTR7 (0.74) HTR7HTR6POLBALDH1A1
SCHEMBL8980849 0.82 HTR7 (0.74) HTR7HTR6POLBALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7211585-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-01 US disclosed