Oxalic Acid

Oxalic Acid

SCHEMBL9202308

CCOc1ccc(OC)cc1OC(Cc1ccccc1)C1=NCCN1.O=C(O)C(=O)O

nearest known ligand 0.47

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 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.47
ADRA2B P18089 5/20 0.47
ADRA2C P18825 5/20 0.47
MAOA P21397 7/20 0.42
MAOB P27338 7/20 0.42
NISCH Q9Y2I1 4/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
WDR5 P61964 1/20 0.38
HTR1B P28222 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL9197682 0.84 ADRA2B (0.61) ADRA2AADRA2BADRA2CMAOAMAOB
SCHEMBL9201690 0.83 ADRA2B (0.67) ADRA2AADRA2BADRA2CMAOAMAOB
SCHEMBL7861399 0.79 ADRA2A (0.47) ADRA2AADRA2BADRA2CMAOAMAOB
SCHEMBL7854564 0.79 ADRA2A (0.47) ADRA2AADRA2BADRA2CMAOAMAOB
SCHEMBL9202316 0.76 MAPT (0.36) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL9199669 0.76 ADRA2B (0.64) ADRA2AADRA2BADRA2CMAOAMAOB
SCHEMBL9207151 0.76 ADRA2B (0.63) ADRA2AADRA2BADRA2CMAOAMAOB
SCHEMBL9206145 0.76 ADRA2B (0.60) ADRA2AADRA2BADRA2CMAOAMAOB
Oxalic Acid SCHEMBL9205239 0.75 ADRA2A (0.52) ADRA2AADRA2BADRA2CMAOAMAOB
SCHEMBL9204625 0.74 MAOA (0.44) ADRA2AADRA2BADRA2CMAOAMAOB

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
EP-0423802-B1 Phenoxy-heterocyclic compounds MERRELL DOW PHARMA (US) 1995-08-09 EP disclosed
US-5134154-A Phenoxy-heterocyclic compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-28 US disclosed
EP-0423802-A1 Phenoxy-heterocyclic compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1991-04-24 EP disclosed