Oxalic Acid

Oxalic Acid

SCHEMBL9427500

COc1ccc(CCN(C)CCCN(C(=O)c2ccc3c(c2)CCCC3)c2ccccc2OCC(C)C)cc1OC.O=C(O)C(=O)O

nearest known ligand 0.47

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
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ SMPD1 P17405 3/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TRPC6 Q9Y210 1/20 0.41
▸ CYP3A4 P08684 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HCN4 Q9Y3Q4 1/20 0.39
▸ SCN1A P35498 1/20 0.39
▸ SCN2A Q99250 1/20 0.39
▸ SCN3A Q9NY46 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CHRM5 P08912 1/20 0.39

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
SCHEMBL7343184 0.98 KCNH2 (0.49) KDM4EALDH1A1KCNH2SMPD1SMN1; SMN2
Oxalic Acid SCHEMBL9427521 0.90 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2TRPC6MEN1
SCHEMBL9427352 0.87 NPC1 (0.42) KCNH2SMPD1SMN1; SMN2TRPC6MEN1
Oxalic Acid SCHEMBL9803157 0.84 KDM4E (0.47) KDM4EALDH1A1KCNH2SMPD1SMN1; SMN2
SCHEMBL9427512 0.82 SMPD1 (0.40) KDM4EALDH1A1KCNH2SMPD1CYP3A4
SCHEMBL9803095 0.81 KCNH2 (0.44) KDM4EALDH1A1KCNH2SMPD1SMN1; SMN2
SCHEMBL7343376 0.81 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2TRPC6MEN1KMT2A
SCHEMBL7370495 0.80 MAPK14 (0.42) ALDH1A1SMN1; SMN2TRPC6MEN1KMT2A
SCHEMBL7341049 0.78 MAPK14 (0.43) ALDH1A1SMN1; SMN2TRPC6MEN1KMT2A
Fumaric Acid SCHEMBL9427564 0.76 MAPK14 (0.40) ALDH1A1SMN1; SMN2TRPC6MEN1KMT2A

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-5373023-A Antiischaemic agent SYNTHELABO (FR) 1994-12-13 — — US disclosed
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