Oxalic Acid

Oxalic Acid

SCHEMBL3799

CNCCC(Oc1ccc(Cl)cc1)c1cccs1.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 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 6/20 0.58
OPRM1 known ✓ P35372 1/20 0.51
CACNA2D1 P54289 13/20 0.57
SLC6A2 P23975 11/20 0.52
SLC6A3 Q01959 5/20 0.52
MLNR O43193 1/20 0.51
CACNA1F O60840 1/20 0.51
CYP1A2 P05177 1/20 0.51
ADRB1 P08588 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTR1A P08908 1/20 0.51
GAA P10253 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
DRD2 P14416 1/20 0.51
KCNE1 P15382 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51

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 SCHEMBL3993 0.89 CACNA2D1 (0.58) SLC6A4CACNA2D1SLC6A2SLC6A3MLNR
Oxalic Acid SCHEMBL10154 0.89 CACNA2D1 (0.58) SLC6A4CACNA2D1SLC6A2SLC6A3MLNR
Oxalic Acid SCHEMBL10359725 0.86 SLC6A2 (0.62) SLC6A4CACNA2D1SLC6A2SLC6A3MLNR
Oxalic Acid SCHEMBL10450 0.84 SLC6A9 (0.48) SLC6A4CACNA2D1
Oxalic Acid SCHEMBL6491845 0.80 SLC6A2 (0.65) SLC6A4CACNA2D1SLC6A2SLC6A3MLNR
Oxalic Acid SCHEMBL9743 0.79 SLC6A4 (0.70) SLC6A4CACNA2D1SLC6A2SLC6A3MLNR
SCHEMBL15809547 0.79 CACNA2D1 (0.57) SLC6A4CACNA2D1SLC6A2SLC6A3MLNR
SCHEMBL15809763 0.79 CACNA2D1 (0.57) SLC6A4CACNA2D1SLC6A2SLC6A3MLNR
SCHEMBL15809548 0.79 CACNA2D1 (0.57) SLC6A4CACNA2D1SLC6A2SLC6A3MLNR
SCHEMBL2600193 0.78 CACNA2D1 (0.75) SLC6A4CACNA2D1SLC6A2SLC6A3MLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5023269-A 3-aryloxy-3-substituted propanamines ELI LILLY AND COMPANY (US) 1991-06-11 US disclosed
EP-0273658-B1 3-ARYLOXY-3-SUBSTITUTED PROPANAMINES ELI LILLY AND COMPANY (US) 1990-10-31 EP disclosed
US-4956388-A ANTIDEPRESSANTS, ANTIANXIETY, TREATMENT OF OBESITY, ADDICTION TO SMOKING AND ALCOHOL ELI LILLY AND COMPANY (US) 1990-09-11 US disclosed
EP-0273658-A1 3-Aryloxy-3-substituted propanamines ELI LILLY AND COMPANY (US) 1988-07-06 EP disclosed