Oxalic Acid

Oxalic Acid

SCHEMBL5220445

O=C(O)C(=O)O.c1c[nH]c(-c2ccc(C34CCCN(CC3)C4)cn2)c1

nearest known ligand 0.38

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 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
HSD11B1 P28845 2/20 0.33
PARP1 P09874 1/20 0.33
ACP1 P24666 1/20 0.31
GRM5 P41594 1/20 0.30
ALOX5AP P20292 1/20 0.30

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
SCHEMBL4460733 0.93 KDR (0.33) KDRKDM4CACP1ALOX5AP
SCHEMBL4463296 0.77 HSD11B1 (0.40) HSD11B1
Bromide SCHEMBL4471147 0.76 HSD11B1 (0.39) HSD11B1
SCHEMBL1483313 0.75 ROCK1 (0.36) PARP1
SCHEMBL2820219 0.75 PBRM1 (0.34) ACP1
Hydrochloric Acid SCHEMBL1484299 0.74 ROCK1 (0.35) PARP1
SCHEMBL2678244 0.74 HSD11B1 (0.41) HSD11B1
SCHEMBL1483304 0.74
SCHEMBL5221717 0.73 CYP2A6 (0.47) ALOX5AP
Bromide SCHEMBL4468359 0.72 CYP2A6 (0.46) ALOX5AP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465893-B1 DERIVATIVES OF 5-(PYRIDIN-3-YL)-1-AZABICYCLO (3.2.1) OCTANE, THE PREPARATION THEREOF AND THE APPLICATION OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2007-02-28 EP claimed