Oxalic Acid

Oxalic Acid

SCHEMBL6600634

O=C(CCN1CCN(c2ccc(F)c(F)c2F)CC1)c1ccsc1.O=C(O)C(=O)O

nearest known ligand 0.61

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 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.61
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
MPI P34949 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43

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
Hydrochloric Acid SCHEMBL6599198 0.75 HTR1A (0.98) HTR1AALDH1A1KDM4ELMNATSHR
Hydrochloric Acid SCHEMBL6598101 0.74 HTR1A (0.98) HTR1AALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6599252 0.72 HTR1A (0.98) HTR1AALDH1A1KDM4ELMNATSHR
Hydrochloric Acid SCHEMBL5358985 0.72 HTR1A (0.55) HTR1AALDH1A1KDM4ELMNATSHR
SCHEMBL6596142 0.72 HTR1A (1.00) HTR1AALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6599417 0.71 HTR1A (0.96) HTR1AALDH1A1KMT2A
Hydrochloric Acid SCHEMBL5364629 0.71 HTR1A (0.67) HTR1AALDH1A1KMT2A
Hydrochloric Acid SCHEMBL7934844 0.70 ALDH1A1 (0.65) HTR1AALDH1A1LMNAMPIKMT2A
Hydrochloric Acid SCHEMBL8822122 0.69 HTR1A (0.57) HTR1AALDH1A1LMNAKMT2A
SCHEMBL17549635 0.69 ALDH1A1 (0.79) HTR1AALDH1A1KDM4ELMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1008594-B1 COMPOUNDS DERIVED FROM THOPHENE AND BENZOTHIOPHENE, AND RELATED UTILISATION AND COMPOSITION VITA LAB (ES) 2004-03-17 EP disclosed
EP-1008594-A1 COMPOUNDS DERIVED FROM THOPHENE AND BENZOTHIOPHENE, AND RELATED UTILISATION AND COMPOSITION VITA-INVEST, S.A. (ES) 2000-06-14 EP disclosed