Oxalic Acid

Oxalic Acid

SCHEMBL7286271

CC(C)(C)OC(=O)CN1CCN[C@@H](CCCCNC(=O)OC(C)(C)C)C1=O.O=C(O)C(=O)O

nearest known ligand 0.39

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 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
PLA2G10 O15496 2/20 0.37
PLA2G5 P39877 2/20 0.37
MAN2B1 O00754 1/20 0.36
ACE P12821 1/20 0.35
DRD2 P14416 6/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
VDR P11473 1/20 0.35
ALDH1A1 P00352 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 SCHEMBL7286295 1.00 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
Oxalic Acid SCHEMBL7287762 0.97 MEN1 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
Oxalic Acid SCHEMBL7286374 0.97 MEN1 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7344084 0.94 PLA2G10 (0.39) TDP1ABCG2MEN1GAAKMT2A
Oxalic Acid SCHEMBL7285955 0.93 PLA2G10 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
Oxalic Acid SCHEMBL7285969 0.93 PLA2G10 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7309103 0.88 MEN1 (0.40) TDP1ABCG2MEN1GAAKMT2A
SCHEMBL7309092 0.88 MEN1 (0.40) TDP1ABCG2MEN1GAAKMT2A
SCHEMBL13354866 0.80 PKM (0.52) GAAKMT2ADRD2ALDH1A1
Oxalic Acid SCHEMBL7298168 0.80 PLA2G10 (0.41) GAAPLA2G10PLA2G5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0822931-B1 PIPERAZINONES USEFUL AS INHIBITORS OF PLATELET AGGREGATION TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-03-27 EP disclosed
US-6020334-A Piperazinones, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-02-01 US disclosed
US-5935963-A (4-GUANIDINOBENZOYLAMINO)ACETYL-3-(3-(4-GUANIDINOBENZOYLAMINO) PROPYL)-2-OXOPIPERAZINE-1-ACETIC ACID OR A SALT; CONTROLLING OR INHIBITING CELL-ADHESION; PLATELET ANTIAGGREGATION WITHOUT LONG HEMORRHAGING; ANTIICHEMIC AGENTS; ANGINA PECTORIS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1999-08-10 US disclosed
US-5888531-A ACTIVE MATERIAL STABILIZED WITH DISACCHARIDE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-30 US disclosed
US-5876756-A SUSTAINED RELEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-02 US disclosed
EP-0765660-A2 Microcapsules comprising 2-piperazinone-1-acetic acid compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-02 EP disclosed
EP-0750913-A2 Disaccharide containing freeze-dried preparation for pharmaceutical use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-02 EP disclosed
WO-1996033982-A1 PIPERAZINONES USEFUL AS INHIBITORS OF PLATELET AGGREGATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-31 WO disclosed