Oxalic Acid

Oxalic Acid

SCHEMBL9795403

CC(C)(N)C(=O)N[C@H]1CC[C@H](O)CC1.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 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.48
PKM P14618 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
ALDH1A1 P00352 2/20 0.36
EPHX1 P07099 1/20 0.35
GHSR Q92847 1/20 0.34
TP53 P04637 1/20 0.34
MDM2 Q00987 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
POLB P06746 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31

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 SCHEMBL9795398 1.00 EPHX2 (0.48) EPHX2PKMPDK1PDK2PDK3
SCHEMBL9498299 0.94 EPHX2 (0.54) EPHX2PKMPDK1PDK2PDK3
SCHEMBL25068274 0.87 PKM (0.47) EPHX2PKMPDK1PDK2PDK3
SCHEMBL14654898 0.79 EPHX1 (0.50) PKMPDK1PDK2PDK3PDK4
SCHEMBL19502933 0.79 SMYD3 (0.44) PKMPDK1PDK2PDK3PDK4
SCHEMBL14654944 0.79 EPHX1 (0.50) PKMPDK1PDK2PDK3PDK4
SCHEMBL17690659 0.79 EPHX2 (0.58) EPHX2PKMPDK1PDK2PDK3
SCHEMBL10202022 0.79 EPHX2 (0.58) EPHX2PKMPDK1PDK2PDK3
SCHEMBL15317763 0.79 EPHX2 (0.58) EPHX2PKMPDK1PDK2PDK3
SCHEMBL14243258 0.77 PDK1 (0.59) EPHX2PDK1PDK2PDK3PDK4

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-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed