Oxalic Acid

Oxalic Acid

SCHEMBL9870147

CCOCCn1c(CCCCN2CCN(Cc3nc4cccnc4n3CCOCC)CC2)nc2cccnc21.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O

nearest known ligand 0.66

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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 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.66
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TP53 P04637 2/20 0.44
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
ENPP2 Q13822 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 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 SCHEMBL9870156 1.00 SLC6A9 (0.66) SLC6A9CHRM5CHRM1ALDH1A1TP53
Oxalic Acid SCHEMBL9634587 0.91 SLC6A9 (0.65) SLC6A9CHRM5CHRM1ALDH1A1TP53
SCHEMBL9686403 0.87 SLC6A9 (0.60) SLC6A9CHRM5CHRM1ALDH1A1TP53
Fumaric Acid SCHEMBL9634790 0.87 SLC6A9 (0.55) SLC6A9CHRM5CHRM1ALDH1A1TP53
Oxalic Acid SCHEMBL9636289 0.87 SLC6A9 (0.63) SLC6A9CHRM5CHRM1ALDH1A1TP53
Oxalic Acid SCHEMBL9636294 0.87 SLC6A9 (0.63) SLC6A9CHRM5CHRM1ALDH1A1TP53
Oxalic Acid SCHEMBL9636284 0.87 SLC6A9 (0.61) SLC6A9CHRM5CHRM1ALDH1A1TP53
Oxalic Acid SCHEMBL9634982 0.87 SLC6A9 (0.73) SLC6A9CHRM5CHRM1ALDH1A1TP53
Oxalic Acid SCHEMBL9634977 0.87 SLC6A9 (0.73) SLC6A9CHRM5CHRM1ALDH1A1TP53
Oxalic Acid SCHEMBL9634849 0.86 SLC6A9 (0.61) SLC6A9CHRM5CHRM1ALDH1A1TP53

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-5011842-A Antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-30 US disclosed