Oxalic Acid

Oxalic Acid

SCHEMBL7294772

CC(C)(C)OC(=O)[C@@H]1Cc2ccccc2N1.O=C(O)C(=O)O

nearest known ligand 0.60

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 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
GAA P10253 1/20 0.60
EPHX2 P34913 1/20 0.47
MAPK1 P28482 2/20 0.41
RECQL P46063 1/20 0.36
IDO1 P14902 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
MAPK10 P53779 1/20 0.34
NAMPT P43490 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL27358248 0.96 GAA (0.61) MAPTGAAEPHX2MAPK1RECQL
SCHEMBL7294748 0.96 GAA (0.61) MAPTGAAEPHX2MAPK1RECQL
SCHEMBL5494843 0.83 SMYD3 (0.49) MAPTGAAEPHX2MAPK1SMYD3
SCHEMBL17647218 0.81 MAPT (0.47) MAPTGAAEPHX2MAPK1IDO1
SCHEMBL29569853 0.80 GAA (0.65) MAPTGAAEPHX2SMYD3BRD4
SCHEMBL3989086 0.80 GAA (0.65) MAPTGAAEPHX2SMYD3BRD4
SCHEMBL926891 0.80 GAA (0.65) MAPTGAAEPHX2SMYD3BRD4
SCHEMBL644461 0.80 GAA (0.65) MAPTGAAEPHX2SMYD3BRD4
Hydrochloric Acid SCHEMBL7950878 0.79 GAA (0.63) MAPTGAAEPHX2SMYD3BRD4
Hydrochloric Acid SCHEMBL926973 0.79 GAA (0.63) MAPTGAAEPHX2SMYD3BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0244836-B1 TRIPEPTIDE DERIVATIVES Dainippon Pharmaceutical Co., Ltd. (JP) 1993-08-18 EP disclosed
US-4826814-A INHIBITORS OF ANGIOTENSIN CONVERTING ENZYME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-05-02 US disclosed
EP-0244836-A2 Tripeptide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1987-11-11 EP disclosed