Oxalic Acid

Oxalic Acid

SCHEMBL9534979

CCOCCN1CCC(Nc2nc3ccccc3n2CCOCC)CC1.O=C(O)C(=O)O.O=C(O)C(=O)O

nearest known ligand 0.60

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 3)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 8/20 0.60
KCNH2 Q12809 6/20 0.54
SSTR5 P35346 2/20 0.51

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 SCHEMBL9534990 1.00 HRH1 (0.60) HRH1KCNH2SSTR5
SCHEMBL6998640 0.87 SSTR5 (0.66) HRH1KCNH2SSTR5
SCHEMBL7985310 0.86 KDM4E (0.56) HRH1KCNH2
Oxalic Acid SCHEMBL9539822 0.86 HRH1 (0.47) HRH1KCNH2
Oxalic Acid SCHEMBL9539814 0.86 HRH1 (0.47) HRH1KCNH2
Oxalic Acid SCHEMBL10384125 0.85 KCNH2 (0.50) HRH1KCNH2
SCHEMBL9536951 0.85 KDM4E (0.53) HRH1KCNH2
Oxalic Acid SCHEMBL10384126 0.85 KCNH2 (0.50) HRH1KCNH2
SCHEMBL9536500 0.83 HRH1 (0.62) HRH1KCNH2SSTR5
SCHEMBL10434485 0.82 HRH1 (0.49) HRH1KCNH2

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-0282133-B1 1-ALKYL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-28 EP disclosed
US-4943580-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-24 US disclosed