Oxalic Acid

Oxalic Acid

SCHEMBL9687827

CCCCC(c1noc2ccccc12)n1ccnc1.O=C(O)C(=O)O

nearest known ligand 0.52

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 9)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 4/20 0.52
CYP24A1 Q07973 8/20 0.39
KDM4E B2RXH2 1/20 0.37
TBXA2R P21731 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
CYP19A1 P11511 1/20 0.35

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
SCHEMBL9687706 0.87 CYP17A1 (0.53) CYP17A1CYP11B1CYP11B2FAAHMGLL
SCHEMBL10464807 0.82 CYP17A1 (0.51) CYP17A1CYP11B1CYP11B2
SCHEMBL9688917 0.78 CYP17A1 (0.54) CYP17A1CYP24A1CYP19A1
SCHEMBL9688727 0.74 CYP17A1 (0.40) CYP17A1CYP24A1CYP11B1CYP11B2CYP19A1
SCHEMBL9689763 0.73 CYP17A1 (0.48) CYP17A1CYP11B1CYP11B2CYP19A1
SCHEMBL9910964 0.73 CYP17A1 (0.84) CYP17A1CYP24A1CYP11B1CYP11B2CYP19A1
SCHEMBL10466649 0.71 CYP17A1 (0.55) CYP17A1CYP11B1CYP11B2CYP19A1
Citric Acid SCHEMBL9688655 0.71 CYP17A1 (0.41) CYP17A1CYP24A1KDM4ETBXA2RCYP11B1
Maleic Acid SCHEMBL9688630 0.69 CYP17A1 (0.42) CYP17A1CYP24A1FAAHCYP19A1
Fumaric Acid SCHEMBL10464858 0.69 CYP17A1 (0.42) CYP17A1CYP24A1FAAHCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0298921-B1 1,2-BENZISOXAZOLES AND 1,2-BENZISOTHIAZOLES CIBA-GEIGY AG (CH) 1992-12-23 EP disclosed
US-4957931-A ANTICONVULSANTS, TREATMENT OF EPILEPSY CIBA-GEIGY CORPORATION (US) 1990-09-18 US disclosed
US-4859691-A Certain 1,2-benzisoxazole derivatives CIBA-GEIGY CORPORATION (US) 1989-08-22 US disclosed
EP-0298921-A1 1,2-Benzisoxazoles and 1,2-benzisothiazoles CIBA-GEIGY AG (CH) 1989-01-11 EP disclosed