Oxalic Acid

Oxalic Acid

SCHEMBL9625494

CN(C)CCC(=O)C(C)(C)Cc1ccc(F)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 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TAAR1 Q96RJ0 1/20 0.44
RIPK1 Q13546 2/20 0.43
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
LTA4H P09960 1/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HPGD P15428 1/20 0.36
MCHR1 Q99705 1/20 0.36
CTBP2 P56545 1/20 0.36

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 SCHEMBL9625240 0.82 KDM4E (0.39) KDM4ETAAR1RIPK1ALDH1A1HPGD
Oxalic Acid SCHEMBL9625642 0.76 RIPK1 (0.43) KDM4ESMN1; SMN2RIPK1TDP1POLB
SCHEMBL5394972 0.74 PPARG (0.49) KDM4ERIPK1TDP1POLBAPEX1
SCHEMBL9875291 0.74 FAAH (0.54) RIPK1HPGD
Oxalic Acid SCHEMBL9625360 0.72 RIPK1 (0.39) KDM4ERIPK1ALDH1A1TDP1HPGD
Oxalic Acid SCHEMBL9626820 0.72 HPGD (0.38) KDM4ERIPK1POLBHPGDCTBP2
Oxalic Acid SCHEMBL9625536 0.72 FFAR1 (0.37) KDM4ERIPK1ALDH1A1POLBHPGD
SCHEMBL3832104 0.71 KCNN4 (0.48) KDM4ERIPK1ALDH1A1TDP1POLB
SCHEMBL9626513 0.71 RIPK1 (0.47) KDM4ESMN1; SMN2RIPK1TDP1POLB
Oxalic Acid SCHEMBL9625351 0.70 TDP1 (0.45) KDM4ERIPK1ALDH1A1TDP1POLB

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-0322391-B1 NEW PHENYLALKYLAMINE DERIVATIVES AKTIEBOLAGET ASTRA (SE) 1992-03-25 EP disclosed