Oxalic Acid

Oxalic Acid

SCHEMBL9345686

CN1CCC(NC(=O)C(C)(C)CO)CC1.O=C(O)C(=O)O

nearest known ligand 0.56

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 2)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 20/20 0.56
SSTR1 P30872 7/20 0.50

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
SCHEMBL9329969 0.95 SSTR4 (0.57) SSTR4SSTR1
SCHEMBL21748734 0.86 SSTR4 (0.54) SSTR4SSTR1
SCHEMBL21748736 0.86 SSTR4 (0.54) SSTR4SSTR1
SCHEMBL5839921 0.78 PDK1 (0.42) SSTR4SSTR1
SCHEMBL620243 0.78 PDK1 (0.58)
SCHEMBL12612604 0.78 ALDH1A1 (0.64) SSTR4SSTR1
SCHEMBL9345695 0.77 SSTR4 (0.62) SSTR4SSTR1
SCHEMBL18389997 0.76 SSTR4 (0.50) SSTR4SSTR1
SCHEMBL31745106 0.76 SSTR4 (0.54) SSTR4SSTR1
SCHEMBL8314042 0.75 PDK1 (0.42) SSTR4SSTR1

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-5280031-A Cyclic azaaliphatic compounds with a nitroxy function, processes for the preparation thereof and pharmaceutical compositions containing them BOEHRINGER MANNHEIM GMBH (DE) 1994-01-18 US disclosed
US-5030641-A Treatment of angina pectoris, hypotensive agents BOEHRINGER MANNHEIM GMBH (DE) 1991-07-09 US disclosed