Oxalic Acid

Oxalic Acid

SCHEMBL11348295

NCCNc1cccc2ccccc12.O=C(O)C(=O)O

nearest known ligand 0.81

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
CA12 O43570 2/20 0.81
CA4 P22748 2/20 0.81
CA7 P43166 2/20 0.81
CA9 Q16790 2/20 0.81
CA14 Q9ULX7 2/20 0.81
CA3 P07451 1/20 0.81
CA6 P23280 1/20 0.81
CA5A P35218 1/20 0.81
CA5B Q9Y2D0 1/20 0.81
TSHR P16473 3/20 0.78
ALDH1A1 P00352 2/20 0.78
HSD17B10 Q99714 2/20 0.78
RECQL P46063 1/20 0.78
KDM4E B2RXH2 5/20 0.55
MAPT P10636 3/20 0.55
GAA P10253 2/20 0.55
HPGD P15428 1/20 0.55
IDO1 P14902 2/20 0.53
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49

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 SCHEMBL27888753 1.00 CA12 (0.81) CA12CA4CA7CA9CA14
Oxalic Acid SCHEMBL6473515 0.98 CA12 (0.78) CA12CA4CA7CA9CA14
Acetic Acid SCHEMBL7593865 0.92 CA12 (0.78) CA12CA4CA7CA9CA14
SCHEMBL29634851 0.90 CA12 (1.00) CA12CA4CA7CA9CA14
SCHEMBL233681 0.90 CA12 (1.00) CA12CA4CA7CA9CA14
Hydrochloric Acid SCHEMBL10896568 0.88 ALDH1A1 (1.00) CA12CA4CA7CA9CA14
Hydrochloric Acid SCHEMBL336183 0.88 ALDH1A1 (1.00) CA12CA4CA7CA9CA14
Hydrochloric Acid SCHEMBL180592 0.88 ALDH1A1 (1.00) CA12CA4CA7CA9CA14
SCHEMBL1684270 0.88 CA12 (0.96) CA12CA4CA7CA9CA14
Hydrochloric Acid SCHEMBL8749395 0.88 ALDH1A1 (1.00) CA12CA4CA7CA9CA14

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-4275031-A A CUVETTE WITH REAGENT EMBEDDED IN A CLEAR POLYMER COATING MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-06-23 US disclosed