Oxalic Acid

Oxalic Acid

SCHEMBL27745929

B.O=C(O)C(=O)O.O=C(O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=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 20)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 1/20 0.50
ALDH1A1 P00352 5/20 0.60
KDM4E B2RXH2 5/20 0.60
TOP2A P11388 4/20 0.60
TOP2B Q02880 4/20 0.60
LMNA P02545 3/20 0.60
HPGD P15428 2/20 0.60
HSD17B10 Q99714 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
MAPT P10636 1/20 0.57
PIK3CG P48736 5/20 0.54
PIK3CD O00329 4/20 0.54
PIK3R1 P27986 4/20 0.54
PIK3CA P42336 4/20 0.54
POLB P06746 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
OPRD1 P41143 1/20 0.50
HTT P42858 1/20 0.49

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
SCHEMBL541543 0.98 ALDH1A1 (0.62) ALDH1A1KDM4ETOP2ATOP2BLMNA
SCHEMBL2108243 0.96 ALDH1A1 (0.64) ALDH1A1KDM4ETOP2ATOP2BLMNA
SCHEMBL541544 0.95 ALDH1A1 (0.62) ALDH1A1KDM4ETOP2ATOP2BLMNA
Hydrochloric Acid SCHEMBL28459278 0.95 ALDH1A1 (0.62) ALDH1A1KDM4ETOP2ATOP2BLMNA
SCHEMBL4718738 0.91 KDM4E (0.60) ALDH1A1KDM4ETOP2ATOP2BLMNA
SCHEMBL22506727 0.86 ALDH1A1 (0.52) ALDH1A1KDM4ETOP2ATOP2BLMNA
Fluoride SCHEMBL5143436 0.86 KDM4E (0.66) ALDH1A1KDM4ETOP2ATOP2BLMNA
SCHEMBL501238 0.86 KDM4E (0.69) ALDH1A1KDM4ETOP2ATOP2BLMNA
SCHEMBL29442121 0.86 KDM4E (0.69) ALDH1A1KDM4ETOP2ATOP2BLMNA
SCHEMBL9844577 0.86 KDM4E (0.56) ALDH1A1KDM4ETOP2ATOP2BLMNA

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
CN-101535305-B 5-hydroxymethyl-oxazolidin-2-one derivatives ACTELION PHARMACEUTICALS LTD 2013-09-18 CN disclosed
CN-101535305-A 5-hydroxymethyl-oxazolidin-2-one derivatives ACTELION PHARMACEUTICALS LTD (CH) 2009-09-16 CN disclosed
CN-101341126-A Antibacterial active 5-chinolin derivative MORPHOCHEM AG FUER KOM (DE) 2009-01-07 CN disclosed