Oxalic Acid

Oxalic Acid

SCHEMBL7429472

CC(C)n1nc(C(N)=O)c2ccccc21.O=C(O)C(=O)O

nearest known ligand 0.55

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
▸ ELANE P08246 2/20 0.55
▸ HTR4 Q13639 16/20 0.52
▸ SCN9A Q15858 1/20 0.48
▸ CYP3A4 P08684 2/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ HTR2A P28223 1/20 0.45

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 SCHEMBL27529758 1.00 ELANE (0.55) ELANEHTR4SCN9ACYP3A4KCNH2
SCHEMBL4777015 0.95 ELANE (0.55) ELANEHTR4SCN9AKCNH2KMT2A
Hydrochloric Acid SCHEMBL27569092 0.94 ELANE (0.54) ELANEHTR4SCN9AKCNH2KMT2A
SCHEMBL29805676 0.84 HTR4 (0.55) HTR4CYP3A4KMT2AHTR2A
SCHEMBL1832626 0.84 HTR4 (0.55) HTR4CYP3A4KMT2AHTR2A
Hydrochloric Acid SCHEMBL1405875 0.83 HTR4 (0.54) HTR4KCNH2KMT2AHTR2A
SCHEMBL17324791 0.81 HTR4 (0.55) HTR4KCNH2KMT2AHTR2A
SCHEMBL8875819 0.81 ELANE (0.50) ELANEHTR4SCN9AKMT2A
SCHEMBL28253854 0.80 ELANE (0.55) ELANEHTR4SCN9AKMT2A
SCHEMBL17321411 0.80 HTR4 (0.54) HTR4KCNH2KMT2AHTR2A

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
WO-1999017772-A1 5HT4 AGONISTS AND ANTAGONISTS ELI LILLY AND COMPANY (US) 1999-04-15 — — WO disclosed
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