Oxalic Acid

Oxalic Acid

SCHEMBL9787778

CCOCCOc1ccc(CCNCC(CO)c2ccccc2)cc1.O=C(O)C(=O)O

nearest known ligand 0.55

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 16)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 9/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
ALOX15 P16050 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL9494415 0.96 ADRB3 (0.53) ADRB3MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL9494401 0.96 ADRB3 (0.53) ADRB3MEN1KMT2ASMN1; SMN2KDM4E
Oxalic Acid SCHEMBL9787807 0.90 ADRB3 (0.54) ADRB3MEN1KMT2ASMN1; SMN2KDM4E
Oxalic Acid SCHEMBL9787785 0.90 ADRB3 (0.47) ADRB3MEN1KMT2ASMN1; SMN2KDM4E
Oxalic Acid SCHEMBL9787821 0.88 ADRB3 (0.45) ADRB3MEN1KMT2ASMN1; SMN2KDM4E
Alcohol SCHEMBL9787776 0.87 ADRB3 (0.51) ADRB3MEN1KMT2ASMN1; SMN2KDM4E
Oxalic Acid SCHEMBL9787715 0.87 ADRB3 (0.49) ADRB3MEN1KMT2ASMN1; SMN2KDM4E
Oxalic Acid SCHEMBL9787744 0.87 KDM4E (0.48) ADRB3MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL9787784 0.87 ADRB3 (0.54) ADRB3MEN1KMT2ASMN1; SMN2KDM4E
Oxalic Acid SCHEMBL9787761 0.85 ADRB3 (0.45) ADRB3MEN1KMT2ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5045567-A Propanolamine derivatives having anti-diabetic effects HOFFMANN-LA ROCHE INC. (US) 1991-09-03 US disclosed