Oxalic Acid

Oxalic Acid

SCHEMBL9831201

COc1ccc(OC)c(C2(CCCNC3(C)CCCCC3)Sc3ccccc3N(C)C2=O)c1.O=C(O)C(=O)O

nearest known ligand 0.36

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
DRD2 P14416 4/20 0.35
DRD3 P35462 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
MAPT P10636 2/20 0.34
NQO2 P16083 1/20 0.34
POLB P06746 1/20 0.34
DRD4 P21917 3/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
HTR2A P28223 1/20 0.34
ADRA1A P35348 1/20 0.34
THRB P10828 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
SCHEMBL9830047 0.96 SCN9A (0.34) ALDH1A1KDM4EKMT2AMEN1MAPT
Oxalic Acid SCHEMBL10672405 0.82 KDM4E (0.48) ALDH1A1KDM4ETP53MAPK1KMT2A
Oxalic Acid SCHEMBL9831207 0.81 MAPT (0.40) ALDH1A1KDM4ETP53MAPK1KMT2A
SCHEMBL9830031 0.79 MAPT (0.37) ALDH1A1KDM4EKMT2AMAPTNQO2
Fumaric Acid SCHEMBL10671609 0.79 ACHE (0.34) DRD2DRD3ALDH1A1KMT2AMEN1
SCHEMBL9829526 0.77 DRD2 (0.40) DRD2DRD3DRD4HTR1A
SCHEMBL9829460 0.76 MAPT (0.38) ALDH1A1KDM4ETP53MAPK1KMT2A
Oxalic Acid SCHEMBL9830413 0.76 SMPD1 (0.42) ALDH1A1KDM4ETP53MAPK1
Oxalic Acid SCHEMBL10859438 0.74 CYP3A4 (0.37) DRD2DRD3ALDH1A1KDM4ETP53
Oxalic Acid SCHEMBL10674415 0.74 HRH3 (0.38) DRD2DRD3ALDH1A1KDM4EKMT2A

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