Oxalic Acid

Oxalic Acid

SCHEMBL10558317

COc1cc(C(C)=O)ccc1OCCCN1CCC(=Cc2ccccc2-c2ccc(F)cc2)CC1.O=C(O)C(=O)O

nearest known ligand 0.55

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
SLC6A4 known ✓ P31645 1/20 0.48
OPRM1 known ✓ P35372 1/20 0.48
ALDH1A1 P00352 8/20 0.50
KDM4E B2RXH2 6/20 0.50
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
ABCB11 O95342 1/20 0.48
CHRM2 P08172 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD2 P14416 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
DRD1 P21728 1/20 0.48
DRD4 P21917 1/20 0.48
ACHE P22303 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48

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
SCHEMBL10559968 0.98 KCNH2 (0.49) ALDH1A1KDM4EKMT2AMEN1ABCB11
Oxalic Acid SCHEMBL10459170 0.82 MEN1 (0.65) ALDH1A1KDM4EKMT2AMEN1ABCB11
Oxalic Acid SCHEMBL10721809 0.82 KDM4E (0.48) ALDH1A1KDM4EKMT2AMEN1ABCB11
Oxalic Acid SCHEMBL10461881 0.81 KDM4E (0.56) ALDH1A1KDM4EKMT2AMEN1ABCB11
Oxalic Acid SCHEMBL10459130 0.80 ABCB11 (0.55) ALDH1A1KDM4EKMT2AMEN1ABCB11
SCHEMBL10721959 0.80 KDM4E (0.46) ALDH1A1KDM4EKMT2AMEN1ABCB11
SCHEMBL10556903 0.80 MEN1 (0.61) ALDH1A1KDM4EKMT2AMEN1ABCB11
SCHEMBL10559960 0.80 OPRM1 (0.54) ALDH1A1KDM4EKMT2AMEN1ABCB11
SCHEMBL10461152 0.78 ABCB11 (0.53) ALDH1A1KDM4EKMT2AMEN1ABCB11
SCHEMBL10561898 0.78 MEN1 (0.50) ALDH1A1KDM4EKMT2AMEN1ABCB11

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
US-4810713-A Arylalkyl-heterocyclic amines, n-substituted by aryloxyalkyl groups used in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-07 US disclosed
EP-0235463-A2 N-substituted-arylalkyl and arylalkylene piperidines as cardiovascular antihistaminic and antisecretory agents A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1987-09-09 EP disclosed