Oxalic Acid

Oxalic Acid

SCHEMBL7835342

O=C(O)C(=O)O.c1ccc2c(c1)CCCCN2

nearest known ligand 0.50

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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
MAPT P10636 3/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.41
ACHE P22303 4/20 0.40
NPC1 O15118 2/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 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
Oxalic Acid SCHEMBL7825836 0.95 MAPT (0.56) MAPTKDM4EALDH1A1CYP1A2TSHR
Bicarbonate SCHEMBL8082241 0.89 MAPT (0.57) MAPTKDM4EALDH1A1CYP1A2TSHR
SCHEMBL24119 0.89 TSHR (0.52) MAPTKDM4EALDH1A1TSHRNPC1
SCHEMBL29373532 0.89 TSHR (0.52) MAPTKDM4EALDH1A1TSHRNPC1
SCHEMBL28370547 0.89 TSHR (0.52) MAPTKDM4EALDH1A1TSHRNPC1
Fumaric Acid SCHEMBL7065558 0.88 MAPT (0.46) MAPTKDM4EALDH1A1CYP1A2TSHR
SCHEMBL19996347 0.87 TSHR (0.50) MAPTKDM4ETSHRNPC1MAPK13
SCHEMBL4504383 0.87 TSHR (0.50) MAPTKDM4ETSHRNPC1MAPK13
SCHEMBL7247288 0.87 TSHR (0.50) MAPTKDM4EALDH1A1TSHRNPC1
SCHEMBL2425535 0.87 TSHR (0.50) MAPTKDM4ETSHRNPC1MAPK13

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
EP-1070054-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND THEIR USE AS SOMATOSTATIN RECEPTOR ANTAGONISTS OR AGONISTS Takeda Chemical Industries, Ltd. (JP) 2001-01-24 EP disclosed
WO-1999052875-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND THEIR USE AS SOMATOSTATIN RECEPTOR ANTAGONISTS OR AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-21 WO disclosed