Oxalic Acid

Oxalic Acid

SCHEMBL9529862

CCCCCN1CCCC(COc2ccc(C#N)cc2)C1.O=C(O)C(=O)O

nearest known ligand 0.53

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 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.53
HRH2 P25021 4/20 0.53
HRH1 P35367 4/20 0.53
SIGMAR1 Q99720 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
MAOB P27338 2/20 0.49
MAOA P21397 1/20 0.49
ACHE P22303 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49

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 SCHEMBL9528802 0.89 KDM4E (0.54) HRH3KDM4EALDH1A1LMNACHRNB2
Oxalic Acid SCHEMBL9531846 0.88 HRH3 (0.64) HRH3CHRNB2CHRNB4CHRNA3CHRNA4
Oxalic Acid SCHEMBL9528825 0.88 KDM4E (0.53) HRH3KDM4EALDH1A1LMNAMAOB
Oxalic Acid SCHEMBL9697600 0.87 CHRNB2 (0.58) HRH3HRH1KDM4EALDH1A1LMNA
Oxalic Acid SCHEMBL9373478 0.83 HRH3 (0.59) HRH3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9531944 0.82 HRH3 (0.61) HRH3HRH2HRH1CHRNB2CHRNB4
SCHEMBL9527998 0.82 MEN1 (0.51) HRH3ALDH1A1LMNAMAOBMAOA
Oxalic Acid SCHEMBL9368390 0.81 KMT2A (0.56) HRH3KDM4EALDH1A1LMNA
SCHEMBL9527422 0.81 KDM4E (0.54) HRH3KDM4EALDH1A1LMNACHRNB2
SCHEMBL9528653 0.81 HRH3 (0.53) HRH3MAOBMAOAACHECHRNB2

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-0542844-A1 3-SUBSTITUTED PIPERIDINE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-05-26 EP disclosed
WO-1992002501-A1 3-SUBSTITUTED PIPERIDINE DERIVATIVES SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1992-02-20 WO disclosed