Oxalic Acid

Oxalic Acid

SCHEMBL9535461

CCOCCn1c(NC2CCNCC2)nc2cccnc21.CCOCCn1c(NC2CCNCC2)nc2cccnc21.O=C(O)C(=O)O

nearest known ligand 0.43

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 17)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 1/20 0.37
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
SLC6A9 P48067 1/20 0.41
KCNH2 Q12809 2/20 0.40
NR4A2 P43354 1/20 0.40
PDE5A O76074 2/20 0.39
HRH1 P35367 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.38
ADORA2A P29274 1/20 0.38
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
CNR1 P21554 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
Oxalic Acid SCHEMBL9535458 1.00 MAPT (0.43) MAPTTP53KDM4ESLC6A9KCNH2
SCHEMBL10383260 0.94 TP53 (0.46) MAPTTP53KDM4ESLC6A9KCNH2
Fumaric Acid SCHEMBL10383153 0.91 MAPT (0.43) MAPTTP53KDM4ESLC6A9KCNH2
Oxalic Acid SCHEMBL9539822 0.89 HRH1 (0.47) MAPTTP53KDM4ESLC6A9KCNH2
Oxalic Acid SCHEMBL9539814 0.89 HRH1 (0.47) MAPTTP53KDM4ESLC6A9KCNH2
Oxalic Acid SCHEMBL9539776 0.89 MAPT (0.42) MAPTTP53KCNH2NR4A2ALDH1A1
Oxalic Acid SCHEMBL9539772 0.89 MAPT (0.42) MAPTTP53KCNH2NR4A2ALDH1A1
Oxalic Acid SCHEMBL9538445 0.85 HRH1 (0.44) MAPTKDM4ESLC6A9KCNH2HRH1
Oxalic Acid SCHEMBL9538448 0.85 HRH1 (0.44) MAPTKDM4ESLC6A9KCNH2HRH1
Oxalic Acid SCHEMBL10383155 0.85 SLC6A9 (0.41) MAPTKDM4ESLC6A9HRH1MEN1

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-0282133-B1 1-ALKYL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-28 EP disclosed
US-4943580-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-24 US disclosed
EP-0282133-A2 1-alkyl substituted benzimidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-09-14 EP disclosed