Oxalic Acid

Oxalic Acid

SCHEMBL10460396

Fc1ccc(C(c2ccc(F)cc2)C2CCN(CCOc3ccc4ccccc4c3)CC2)cc1.O=C(O)C(=O)O

nearest known ligand 0.56

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 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 5/20 0.56
SLC6A2 P23975 5/20 0.56
DRD2 P14416 3/20 0.50
SLC6A3 Q01959 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 2/20 0.47
HRH3 Q9Y5N1 2/20 0.47
DRD3 P35462 1/20 0.46

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
SCHEMBL10560292 0.94 SLC6A2 (0.63) SLC6A2SLC6A4DRD2SLC6A3HRH3
Oxalic Acid SCHEMBL10460451 0.90 DRD2 (0.60) SLC6A2SLC6A4DRD2SLC6A3KDM4E
SCHEMBL10461703 0.89 SLC6A2 (0.59) SLC6A2SLC6A4DRD2HRH3DRD3
Water SCHEMBL10460336 0.88 SLC6A2 (0.58) SLC6A2SLC6A4DRD2HRH3DRD3
Oxalic Acid SCHEMBL10461397 0.84 KDM4E (0.58) DRD2MEN1KMT2AKDM4EHRH3
SCHEMBL10560791 0.84 DRD2 (0.57) SLC6A2SLC6A4DRD2SLC6A3DRD3
Oxalic Acid SCHEMBL10460865 0.83 KMT2A (0.56) DRD2MEN1KMT2AKDM4EHRH3
SCHEMBL8809168 0.81 HTR2A (0.60) SLC6A2SLC6A4HRH3DRD3
Oxalic Acid SCHEMBL10459285 0.80 HTR2A (0.49) MEN1KMT2AKDM4EHRH3DRD3
Hydrochloric Acid SCHEMBL7406238 0.79 SLC6A2 (0.55) SLC6A2SLC6A4DRD2SLC6A3HRH3

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-4950674-A Arylalkylheterocyclic amines,N-substituted by aryloxyalkyl group in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1990-08-21 US disclosed
US-4810713-A Arylalkyl-heterocyclic amines, n-substituted by aryloxyalkyl groups used in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-07 US disclosed