Oxalic Acid

Oxalic Acid

SCHEMBL9548094

COc1ccccc1OCCNC(C)Cc1ccc(OC)c(S(C)(=O)=O)c1.O=C(O)C(=O)O

nearest known ligand 0.68

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
OPRM1 known ✓ P35372 1/20 0.68
ADRA1D P25100 10/20 0.68
ADRA1A P35348 10/20 0.68
ADRA1B P35368 10/20 0.68
HTR1A P08908 3/20 0.68
ADRB2 P07550 1/20 0.68
ADRB1 P08588 1/20 0.68
ADRA2A P08913 1/20 0.68
DRD2 P14416 1/20 0.68
ADRA2B P18089 1/20 0.68
ADRA2C P18825 1/20 0.68
HTR2A P28223 1/20 0.68
HTR7 P34969 1/20 0.68
DRD3 P35462 1/20 0.68
HTR2B P41595 1/20 0.68
KCNH2 Q12809 1/20 0.68
SIGMAR1 Q99720 1/20 0.52
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 4/20 0.47
TDP1 Q9NUW8 2/20 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
SCHEMBL9548081 0.95 ADRA1D (0.74) ADRA1DADRA1AADRA1BHTR1AADRB2
Oxalic Acid SCHEMBL9548062 0.91 ADRA1D (0.67) ADRA1DADRA1AADRA1BHTR1AADRB2
SCHEMBL9548029 0.90 ADRA1D (0.83) ADRA1DADRA1AADRA1BHTR1AADRB2
Hydrochloric Acid SCHEMBL9548066 0.89 ADRA1D (0.81) ADRA1DADRA1AADRA1BHTR1AADRB2
SCHEMBL9548098 0.89 ADRA1D (0.61) ADRA1DADRA1AADRA1BHTR1AADRB2
SCHEMBL22364320 0.85 ADRA1A (0.90) ADRA1DADRA1AADRA1BHTR1AADRB2
SCHEMBL9416177 0.85 ADRA1A (0.90) ADRA1DADRA1AADRA1BHTR1AADRB2
Tamsulosin SCHEMBL724034 0.85 ADRA1A (0.91) ADRA1DADRA1AADRA1BHTR1AADRB2
SCHEMBL9416156 0.85 ADRA1D (0.71) ADRA1DADRA1AADRA1BHTR1AADRB2
Hydrochloric Acid SCHEMBL9128210 0.85 ADRA1A (0.88) ADRA1DADRA1AADRA1BHTR1AADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5198587-A Adrenergic Blocking Agents, Hypotensive Agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1993-03-30 US disclosed
US-5063246-A Hypotensive YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-11-05 US disclosed
US-4880841-A ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1989-11-14 US disclosed