Oxalic Acid

Oxalic Acid

SCHEMBL9829045

COc1ccc(OC)c(C2(CCCCN3CCN(C(=O)/C=C/c4ccc(OC)c(OC)c4)CC3)Sc3ccccc3N(C)C2=O)c1.O=C(O)C(=O)O

nearest known ligand 0.48

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 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
ACHE P22303 4/20 0.45
BCHE P06276 2/20 0.45
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.43

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 SCHEMBL9829050 1.00 TDP1 (0.48) TDP1ACHEBCHEMAOAMAOB
SCHEMBL9829526 0.80 DRD2 (0.40)
SCHEMBL9830625 0.79 EBP (0.48)
Oxalic Acid SCHEMBL10672405 0.77 KDM4E (0.48) KDM4EMEN1KMT2AALDH1A1
SCHEMBL9830031 0.74 MAPT (0.37) L3MBTL1KDM4EKMT2AALDH1A1
Oxalic Acid SCHEMBL9831201 0.73 DRD2 (0.35) KDM4EMEN1KMT2AALDH1A1
SCHEMBL9830263 0.73 MAPT (0.51) TDP1ACHEKDM4EMEN1KMT2A
SCHEMBL9830047 0.69 SCN9A (0.34) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL9829460 0.69 MAPT (0.38) KDM4EMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL9829644 0.68 HRH1 (0.41) KDM4E

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-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