Oxalic Acid

Oxalic Acid

SCHEMBL9831207

COc1ccc(OC)c(C2(CCCN(C)C3CCCCC3)Sc3ccccc3N(C)C2=O)c1.O=C(O)C(=O)O

nearest known ligand 0.40

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 17)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 1/20 0.34
MAPT P10636 7/20 0.40
TP53 P04637 5/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
TSHR P16473 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NQO2 P16083 1/20 0.34

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
SCHEMBL9829460 0.96 MAPT (0.38) MAPTTP53KDM4EMAPK1SMN1; SMN2
Oxalic Acid SCHEMBL10672405 0.88 KDM4E (0.48) MAPTTP53KDM4EMAPK1MEN1
Oxalic Acid SCHEMBL9830413 0.81 SMPD1 (0.42) TP53KDM4EMAPK1ALDH1A1
Oxalic Acid SCHEMBL9831201 0.81 DRD2 (0.35) MAPTTP53KDM4EMAPK1POLB
SCHEMBL10859447 0.79 MAPT (0.36) MAPTTP53KDM4EMAPK1POLB
Fumaric Acid SCHEMBL10671612 0.78 MAPT (0.36) MAPTTP53KDM4EMAPK1SMN1; SMN2
Fumaric Acid SCHEMBL10671616 0.78 MAPT (0.36) MAPTTP53KDM4EMAPK1SMN1; SMN2
SCHEMBL9830031 0.78 MAPT (0.37) MAPTKDM4EKMT2ATSHRALDH1A1
SCHEMBL9829352 0.77 SMPD1 (0.45)
SCHEMBL9829526 0.76 DRD2 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0233291-B1 2-ARYLBENZOTHIAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1991-03-13 EP disclosed
US-4739050-A CALCIUM ANTAGONIST, ANTICOAGULANT SANTEN PHARMACEUTICAL CO., LTD. (JP) 1988-04-19 US disclosed
EP-0233291-A1 2-ARYLBENZOTHIAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1987-08-26 EP disclosed