Oxalic Acid

Oxalic Acid

SCHEMBL10693851

COc1ccc(CCN(C)CCCCOc2ccccc2C2(Cc3ccccc3)Cc3ccccc3N(C)C2=O)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 11)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 7/20 0.47
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
ABCB1 P08183 2/20 0.42
SIGMAR1 Q99720 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.40
HCN4 Q9Y3Q4 1/20 0.40
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 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
SCHEMBL10757925 0.97 SMPD1 (0.50) SMPD1KDM4EABCB1MAPTHCN4
Oxalic Acid SCHEMBL10694123 0.93 SMPD1 (0.48) SMPD1KDM4EALDH1A1ABCB1SIGMAR1
Oxalic Acid SCHEMBL10688530 0.90 SMPD1 (0.45) SMPD1KDM4EALDH1A1ABCB1SIGMAR1
SCHEMBL10754672 0.89 SMPD1 (0.51) SMPD1ABCB1MAPTHCN4
Hydrochloric Acid SCHEMBL10693968 0.84 SMPD1 (0.52) SMPD1ABCB1MAPTHCN4
Hydrochloric Acid SCHEMBL10369261 0.82 SMPD1 (0.48) SMPD1KDM4EABCB1SIGMAR1MAPT
SCHEMBL10410304 0.82 SMPD1 (0.52) SMPD1KDM4EABCB1MAPTHCN4
SCHEMBL10695992 0.78 SCN9A (0.39) KDM4EALDH1A1L3MBTL1MAPT
Oxalic Acid SCHEMBL10721387 0.77 SMPD1 (0.48) SMPD1KDM4EALDH1A1ABCB1
Hydrochloric Acid SCHEMBL10369431 0.77 SMPD1 (0.49) SMPD1KDM4EABCB1MAPTHCN4

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-4778793-A CONTROLLING CALCIUM CONCENTRATION-CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1988-10-18 US disclosed