Oxalic Acid

Oxalic Acid

SCHEMBL28043151

COc1nn(OC)c2ccccc12.O=C(O)C(=O)O

nearest known ligand 0.40

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
ELANE P08246 4/20 0.40
F2 P00734 2/20 0.40
PLAU P00749 2/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38

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
SCHEMBL27344743 0.90 ALDH1A1 (0.47) CYP11B1CYP11B2ALDH1A1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL27804686 0.89 ALDH1A1 (0.45) CYP11B1CYP11B2ALDH1A1CYP1A2CYP2C19
SCHEMBL23782714 0.78 ELANE (0.49) ELANEF2PLAUCYP11B1CYP11B2
SCHEMBL1969701 0.78 ELANE (0.49) ELANEF2PLAUALDH1A1CYP1A2
SCHEMBL8725002 0.74 MAPT (0.50) ALDH1A1KMT2AKDM4EHPGDSMN1; SMN2
SCHEMBL4433081 0.71 KDM4E (0.50) ELANEF2PLAUALDH1A1KDM4E
SCHEMBL29162356 0.71 GLS (0.47) ELANEF2PLAUCYP11B1CYP11B2
SCHEMBL7737863 0.71 CNR1 (0.51) CYP11B1CYP11B2ALDH1A1CYP1A2CYP2C19
SCHEMBL27834342 0.70 KHK (0.57) CYP11B1CYP11B2ALDH1A1CYP1A2CYP2C19
SCHEMBL6852832 0.70 ELANE (0.53) ELANEF2PLAU

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
CN-105078993-A Indazole compound composition and preparation method and application thereof ZHEJIANG DAGUO BIOMEDICINE TECHNOLOGY CO LTD 2015-11-25 CN disclosed