Oxalic Acid

Oxalic Acid

SCHEMBL9824967

COc1ccc(/C=C/c2ccccc2)c(CCC(C)NCCc2ccc(OC)c(OC)c2)c1.O=C(O)C(=O)O

nearest known ligand 0.51

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 0.44
MAPT P10636 5/20 0.51
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 1/20 0.48
OPRD1 P41143 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL9824483 0.95 MAPT (0.48) MAPTMEN1KMT2AHTTLMNA
SCHEMBL9824488 0.95 MAPT (0.48) MAPTMEN1KMT2AHTTLMNA
SCHEMBL9824503 0.89 SLC2A1 (0.49) MAPTMEN1KMT2AHTTLMNA
SCHEMBL10759050 0.89 SLC2A1 (0.49) MAPTMEN1KMT2AHTTLMNA
SCHEMBL9824630 0.89 SLC2A1 (0.49) MAPTMEN1KMT2AHTTLMNA
Hydrochloric Acid SCHEMBL9824621 0.88 SLC2A1 (0.48) MAPTHTTLMNAHPGDADRB2
Hydrochloric Acid SCHEMBL9824367 0.88 SLC2A1 (0.48) MAPTHTTLMNAHPGDADRB2
SCHEMBL9824510 0.84 SIGMAR1 (0.52) MAPTHTTLMNAHPGDADRB2
SCHEMBL9824584 0.84 SIGMAR1 (0.52) MAPTHTTLMNAHPGDADRB2
SCHEMBL9824128 0.78 CYP1A2 (0.46) MAPTMEN1KMT2AALDH1A1CYP1A1

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
EP-0250254-B1 CIS & TRANS STILBENES AND THEIR COMPOSITION FOR THE TREATMENT OF HYPERTENSION McNeilab, Inc. (US) 1991-06-19 EP disclosed
EP-0250254-A1 Cis & trans stilbenes and their composition for the treatment of hypertension McNeilab, Inc. (US) 1987-12-23 EP disclosed