Oxalic Acid

Oxalic Acid

SCHEMBL5787929

CS(=O)(=O)O.O=C(O)C(=O)O

nearest known ligand 0.44

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
CA2 P00918 3/20 0.44
CA5A P35218 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP3A4 P08684 1/20 0.39
FFAR3 O14843 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
KDM5B Q9UGL1 1/20 0.35
TSHR P16473 3/20 0.33
CA1 P00915 3/20 0.33
ALDH1A1 P00352 3/20 0.33
CA9 Q16790 2/20 0.33
ALOX15 P16050 1/20 0.33
NT5E P21589 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA7 P43166 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
Bicarbonate SCHEMBL7692947 0.87
Hydrogen Peroxide SCHEMBL28178154 0.87
Acetic Acid SCHEMBL6288674 0.83 FFAR3 (0.58) CA2CA5ACA5BKDM4ECYP3A4
Acetic Acid SCHEMBL440498 0.83
Oxalic Acid SCHEMBL3413023 0.82 CA5A (0.60) CA2CA5ACA5BKDM4EFFAR3
Hydrogen Peroxide SCHEMBL28116494 0.82
SCHEMBL246838 0.82 CA2 (0.58) CA2CA5ACA5BKDM4ECYP3A4
SCHEMBL105 0.82
SCHEMBL25599 0.82 CA2 (0.58) CA2CA5ACA5BKDM4ECYP3A4
SCHEMBL8596055 0.82 CA2 (0.58) CA2CA5ACA5BKDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3114109-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) The Johns Hopkins University (US) 2017-01-11 EP disclosed
WO-2015134973-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) THE JOHNS HOPKINS UNIVERSITY (US) 2015-09-11 WO disclosed
EP-1650200-A1 SULFONATE COMPOUND AND FLUORESCENT PROBE USING THE SAME Osaka Industrial Promotion Organization (JP) 2006-04-26 EP disclosed
EP-0375349-B1 Phosphinic acid substituted steroids as inhibitors of steroid 5alpha-reductase SMITHKLINE BEECHAM CORP (US) 1994-08-31 EP disclosed
EP-0375349-A1 Phosphinic acid substituted steroids as inhibitors of steroid 5alpha-reductase SMITHKLINE BEECHAM CORPORATION (US) 1990-06-27 EP disclosed
EP-0007779-B1 METHOD OF INCREASING THE VISCOSITY OF A THERMOSET COMPOSITION AND SHAPED ARTICLES MADE FROM THIS COMPOSITION ICI AMERICAS INC. (US) 1983-07-20 EP disclosed
US-4296215-A POLYISOLYANATE TRIMERIZATION, VINYL URETHANE, UNSATURATED POLYESTER CURABLE BLEND ICI AMERICAS INC. (US) 1981-10-20 US disclosed
EP-0000658-B1 PROCESS FOR PREPARING ETHYLENICALLY UNSATURATED ISOCYANURATES ICI AMERICAS INC. (US) 1981-09-02 EP disclosed
EP-0007779-A1 Method of increasing the viscosity of a thermoset composition and shaped articles made from this composition ICI AMERICAS INC. (US) 1980-02-06 EP disclosed
EP-0000658-A1 Process for preparing ethylenically unsaturated isocyanurates ICI AMERICAS INC. (US) 1979-02-07 EP disclosed
US-4128537-A COPPER COMPOUND CATALYST, TRIMERIZATION ICI AMERICAS INC. (US) 1978-12-05 US disclosed