Oxalic Acid

Oxalic Acid

SCHEMBL3448

CNCCC(Oc1cccc2ccccc12)c1ccsc1.O=C(O)C(=O)O

nearest known ligand 0.87

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 13/20 0.87
OPRM1 known ✓ P35372 1/20 0.58
SLC6A2 P23975 12/20 0.87
CACNA2D1 P54289 7/20 0.68
SLC6A3 Q01959 2/20 0.58
MLNR O43193 1/20 0.58
CACNA1F O60840 1/20 0.58
CYP1A2 P05177 1/20 0.58
ADRB1 P08588 1/20 0.58
CYP3A4 P08684 1/20 0.58
HTR1A P08908 1/20 0.58
GAA P10253 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
DRD2 P14416 1/20 0.58
KCNE1 P15382 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58

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
SCHEMBL3967638 0.93 SLC6A4 (1.00) SLC6A4SLC6A2CACNA2D1SLC6A3MLNR
SCHEMBL3359634 0.93 SLC6A4 (1.00) SLC6A4SLC6A2CACNA2D1SLC6A3MLNR
Hydrochloric Acid SCHEMBL4413256 0.92 SLC6A4 (0.98) SLC6A4SLC6A2CACNA2D1SLC6A3MLNR
Phosphoric Acid SCHEMBL3624 0.92 SLC6A4 (0.87) SLC6A4SLC6A2CACNA2D1SLC6A3MLNR
Oxalic Acid SCHEMBL3562 0.85 SLC6A2 (0.63) SLC6A4SLC6A2CACNA2D1HTR1A
Duloxetine SCHEMBL308488 0.82 SLC6A2 (0.87) SLC6A4SLC6A2CACNA2D1SLC6A3MLNR
Duloxetine SCHEMBL3896385 0.82 SLC6A2 (0.87) SLC6A4SLC6A2CACNA2D1SLC6A3MLNR
Duloxetine SCHEMBL3335 0.82 SLC6A2 (0.87) SLC6A4SLC6A2CACNA2D1SLC6A3MLNR
SCHEMBL2722680 0.81 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3CYP1A2CYP3A4
SCHEMBL20292549 0.81 CACNA2D1 (1.00) SLC6A4SLC6A2CACNA2D1

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