Oxalic Acid

Oxalic Acid

SCHEMBL7328944

CCCC(COc1ccc(Cl)c(Cl)c1)CN1CCOCC1.O=C(O)C(=O)O

nearest known ligand 0.50

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 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
THRB P10828 1/20 0.46
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
GPR88 Q9GZN0 1/20 0.45
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ABCB1 P08183 3/20 0.44

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
SCHEMBL7328956 0.94 ALDH1A1 (0.56) KDM4EALDH1A1KMT2ASMN1; SMN2THRB
SCHEMBL16370933 0.77 L3MBTL1 (0.71) KDM4EALDH1A1KMT2ASMN1; SMN2LMNA
Oxalic Acid SCHEMBL7328932 0.74 KDM4E (0.48) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7327720 0.72 KDM4E (0.53) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL22639809 0.70 L3MBTL1 (0.67) MEN1KMT2ASMN1; SMN2LMNAMAPK1
SCHEMBL22639911 0.70 L3MBTL1 (0.67) MEN1KMT2ASMN1; SMN2LMNAMAPK1
Oxalic Acid SCHEMBL7328948 0.69 DRD4 (0.54) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7328952 0.66 KDM4E (0.52) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7328937 0.66 KDM4E (0.44) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
Oxalic Acid SCHEMBL729184 0.65 SIGMAR1 (0.91) SMN1; SMN2LMNAMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629190-A1 COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-12-21 EP disclosed
WO-1993015052-A1 COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-08-05 WO disclosed