Oxalic Acid

Oxalic Acid

SCHEMBL9345814

NCCN1CCC(O)CC1.O=C(O)C(=O)O

nearest known ligand 0.46

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 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
ARG1 P05089 2/20 0.43
ARG2 P78540 2/20 0.43
KCNA3 P22001 2/20 0.42
PRMT3 O60678 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT1 Q99873 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
GNAI3 P08754 2/20 0.41
GNAO1 P09471 2/20 0.41
GNAI1 P63096 2/20 0.41
CHRM3 P20309 1/20 0.38
OPRD1 P41143 1/20 0.38
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
DPP7 Q9UHL4 2/20 0.36
TERT O14746 2/20 0.35
SPHK1 Q9NYA1 1/20 0.35

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
SCHEMBL722623 0.89 ALOX15 (0.57) ALOX15ARG1ARG2KCNA3PRMT3
Oxalic Acid SCHEMBL9345679 0.89 ARG1 (0.44) ARG1ARG2KCNA3CHRM3DPP7
Hydrochloric Acid SCHEMBL26602150 0.87 ALOX15 (0.55) ALOX15ARG1ARG2KCNA3PRMT3
Hydrochloric Acid SCHEMBL5107700 0.87 ALOX15 (0.55) ALOX15ARG1ARG2KCNA3PRMT3
Oxalic Acid SCHEMBL9345651 0.81 PRMT3 (0.47) ALOX15ARG1ARG2PRMT3CARM1
Oxalic Acid SCHEMBL9349126 0.78 PRMT3 (0.45) ALOX15PRMT3CARM1PRMT6PRMT1
SCHEMBL1077689 0.78 GNAI3 (0.49) ALOX15PRMT3CARM1PRMT6PRMT1
SCHEMBL2297876 0.77 KEAP1 (0.50) ALOX15ARG1ARG2KCNA3GNAI3
SCHEMBL3899323 0.77
SCHEMBL10064189 0.77

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