Oxalic Acid

Oxalic Acid

SCHEMBL8430749

Fc1cc(F)cc(C=CC2=CCN(Cc3ccccc3)CC2)c1.O=C(O)C(=O)O

nearest known ligand 0.48

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 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SIGMAR1 Q99720 1/20 0.42
NPY2R P49146 1/20 0.41
HDAC4 P56524 1/20 0.41
NAMPT P43490 1/20 0.41

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 SCHEMBL8430748 1.00 KDM4E (0.48) KDM4ESMN1; SMN2SIGMAR1NPY2RHDAC4
SCHEMBL8430800 0.94 KDM4E (0.53) KDM4ESMN1; SMN2
SCHEMBL8430804 0.94 KDM4E (0.53) KDM4ESMN1; SMN2
SCHEMBL8128381 0.83 SMN1; SMN2 (0.60) KDM4ESMN1; SMN2SIGMAR1
SCHEMBL8128377 0.83 SMN1; SMN2 (0.60) KDM4ESMN1; SMN2SIGMAR1
SCHEMBL8429501 0.81 KDM4E (0.64) KDM4ESMN1; SMN2SIGMAR1
SCHEMBL8429503 0.81 KDM4E (0.64) KDM4ESMN1; SMN2SIGMAR1
SCHEMBL8429465 0.81 KDM4E (0.60) KDM4ESMN1; SMN2
SCHEMBL8429460 0.81 KDM4E (0.60) KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL8428835 0.80 KDM4E (0.66) KDM4ESMN1; SMN2

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
US-5861407-A Tetrahydropyridine derivatives as dopamine receptor subtype ligands MERCK SHARP & DOHME, LTD. (GB) 1999-01-19 US disclosed