Oxalic Acid

Oxalic Acid

SCHEMBL9535593

C=CCOCCn1c(NC2CCN(C)CC2)nc2cccnc21.C=CCOCCn1c(NC2CCN(C)CC2)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 15)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 2/20 0.38
MAPT P10636 1/20 0.42
MAPK14 Q16539 1/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CNR1 P21554 1/20 0.36
SSTR4 P31391 7/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
NOS2 P35228 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 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
Oxalic Acid SCHEMBL9535594 1.00 MAPT (0.42) MAPTMAPK14OPRM1OPRD1OPRK1
SCHEMBL10697050 0.86 MAPT (0.44) MAPTOPRM1OPRD1OPRK1NPSR1
Oxalic Acid SCHEMBL9536954 0.85 SLC6A9 (0.41) MAPTOPRM1OPRD1OPRK1NPSR1
Oxalic Acid SCHEMBL9536963 0.85 SLC6A9 (0.41) MAPTOPRM1OPRD1OPRK1NPSR1
SCHEMBL9535868 0.83 SLC6A9 (0.44) MAPTNOS2
Oxalic Acid SCHEMBL9539814 0.83 HRH1 (0.47) MAPTOPRM1OPRD1OPRK1TP53
Oxalic Acid SCHEMBL9539822 0.83 HRH1 (0.47) MAPTOPRM1OPRD1OPRK1TP53
Hydrochloric Acid SCHEMBL10384124 0.82 SLC6A9 (0.44) MAPTNOS2
Fumaric Acid SCHEMBL10383182 0.82 MAPT (0.40) MAPTMAPK14OPRM1OPRD1OPRK1
Oxalic Acid SCHEMBL10383155 0.81 SLC6A9 (0.41) MAPTOPRM1OPRD1OPRK1NPSR1

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