Oxalic Acid

Oxalic Acid

SCHEMBL9309837

CCOC(=O)C(CCc1ccccc1)N1CCN(c2cc(=O)n(C)c(=O)n2C)CC1.O=C(O)C(=O)O

nearest known ligand 0.54

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 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HRH1 P35367 7/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
ACE P12821 4/20 0.38
LMNA P02545 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL9309862 0.98 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL9310365 0.88 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHRH1ADRA1D
Hydrochloric Acid SCHEMBL9308755 0.87 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AHRH1ADRA1D
Oxalic Acid SCHEMBL9309780 0.82 IDO1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL9309785 0.80 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL9309083 0.78 IDO1 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
Oxalic Acid SCHEMBL9311425 0.76 IDO1 (0.57) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL9309825 0.76 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL9308521 0.75 MEN1 (0.58) ALDH1A1MEN1KMT2ALMNAMAPT
Hydrochloric Acid SCHEMBL9309600 0.75 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1

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
US-5308848-A Side effect reduction MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-05-03 US disclosed
EP-0452107-A1 Pyrimidinedione derivatives and antiarrythmic agents containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-10-16 EP disclosed