Oxalic Acid

Oxalic Acid

SCHEMBL7729520

O=C(NC1CCN(CCc2ccccc2)C1)C(c1ccccc1)c1ccccc1.O=C(O)C(=O)O

nearest known ligand 0.58

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 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.58
SIGMAR1 Q99720 1/20 0.57
AGTR2 P50052 1/20 0.54
SLC6A2 P23975 2/20 0.52
SLC6A3 Q01959 2/20 0.52
C3AR1 Q16581 1/20 0.52
HTR2A P28223 2/20 0.50
BACE1 P56817 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
HTR2C P28335 1/20 0.50
DRD4 P21917 2/20 0.49
CHRM3 P20309 1/20 0.49
CXCR3 P49682 1/20 0.47

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 SCHEMBL7729513 1.00 CCR1 (0.58) CCR1SIGMAR1AGTR2SLC6A2SLC6A3
SCHEMBL7729558 0.98 CCR1 (0.60) CCR1SIGMAR1AGTR2SLC6A2SLC6A3
SCHEMBL7729568 0.98 CCR1 (0.60) CCR1SIGMAR1AGTR2SLC6A2SLC6A3
SCHEMBL19049037 0.93 CCR1 (0.55) CCR1SIGMAR1AGTR2SLC6A2SLC6A3
SCHEMBL7242922 0.91 SIGMAR1 (0.68) CCR1SIGMAR1AGTR2SLC6A2SLC6A3
SCHEMBL17294691 0.82 BACE1 (0.56) CCR1AGTR2BACE1DRD4
SCHEMBL17294690 0.82 BACE1 (0.56) CCR1AGTR2BACE1DRD4
SCHEMBL17301751 0.82 BACE1 (0.56) CCR1AGTR2BACE1DRD4
SCHEMBL7723985 0.82 SIGMAR1 (0.53) CCR1SIGMAR1C3AR1HTR2ADRD4
SCHEMBL7723974 0.82 SIGMAR1 (0.53) CCR1SIGMAR1C3AR1HTR2ADRD4

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
US-6468998-B1 ANTAGONIZE SEROTONIN 2 RECEPTORS, SUPPRESS PLATELET AGGREGATION, IMPROVE PERIPHERAL CIRCULATION AND PROMOTE LACHRYMATION MITSUBISHI PHARMA CORPORATION (JP) 2002-10-22 US disclosed
EP-1125922-A1 PYRROLIDINE COMPOUNDS AND MEDICINAL UTILIZATION THEREOF Welfide Corporation (JP) 2001-08-22 EP disclosed