Oxalic Acid

Oxalic Acid

SCHEMBL6288735

CCN1CCN(c2nc(CCc3ccc(OCCO)cc3)cc3ccoc23)CC1.O=C(O)C(=O)O

nearest known ligand 0.40

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
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 4/20 0.37
GAA P10253 1/20 0.36
ADRA1A P35348 2/20 0.36
HRH1 P35367 2/20 0.36
KCNH2 Q12809 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
ADRA1B P35368 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
MCHR1 Q99705 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35

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
Oxalic Acid SCHEMBL4793452 0.88 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL6289256 0.82 MAPK1 (0.41) ALDH1A1KMT2AMEN1L3MBTL1KDM4E
Oxalic Acid SCHEMBL4772888 0.82 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1L3MBTL1KDM4E
Oxalic Acid SCHEMBL4772880 0.82 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL4770738 0.79 MAPK1 (0.42) ALDH1A1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL4774231 0.79 PRMT5 (0.42) ALDH1A1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL6289203 0.79 PIK3CA (0.40) ALDH1A1L3MBTL1KDM4EGAAMAPK1
Hydrochloric Acid SCHEMBL4771070 0.78 MAPK1 (0.42) ALDH1A1KMT2AMEN1L3MBTL1KDM4E
Hydrochloric Acid SCHEMBL4772442 0.78 PIK3CA (0.39) ALDH1A1KMT2AL3MBTL1KDM4EGAA
SCHEMBL4792970 0.77 MAPT (0.41) ALDH1A1KMT2AMEN1L3MBTL1KDM4E

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-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed