Oxalic Acid

Oxalic Acid

SCHEMBL9535612

CCOCCn1c(NC2CCN(CC(=O)OCC)CC2)nc2cccnc21.CCOCCn1c(NC2CCN(CC(=O)OCC)CC2)nc2cccnc21.O=C(O)C(=O)O

nearest known ligand 0.46

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 18)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 1/20 0.38
HRH1 P35367 4/20 0.46
SLC6A9 P48067 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 3/20 0.40
NOS2 P35228 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ATM Q13315 1/20 0.39
ALOX15 P16050 1/20 0.39
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 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
Oxalic Acid SCHEMBL9535618 1.00 HRH1 (0.46) HRH1SLC6A9LMNAMAPTMAPK1
SCHEMBL9535449 0.97 HRH1 (0.47) HRH1SLC6A9LMNAMAPTMAPK1
Oxalic Acid SCHEMBL9539814 0.91 HRH1 (0.47) HRH1SLC6A9MAPTKDM4EOPRM1
Oxalic Acid SCHEMBL9539822 0.91 HRH1 (0.47) HRH1SLC6A9MAPTKDM4EOPRM1
Oxalic Acid SCHEMBL10383155 0.91 SLC6A9 (0.41) HRH1SLC6A9MAPTKDM4ENOS2
SCHEMBL9535303 0.91 SLC6A9 (0.44) HRH1SLC6A9MAPTKDM4ENOS2
Oxalic Acid SCHEMBL9538448 0.87 HRH1 (0.44) HRH1SLC6A9MAPTKDM4EOPRM1
Oxalic Acid SCHEMBL9538445 0.87 HRH1 (0.44) HRH1SLC6A9MAPTKDM4EOPRM1
Oxalic Acid SCHEMBL9536963 0.87 SLC6A9 (0.41) HRH1SLC6A9MAPTKDM4ENOS2
Oxalic Acid SCHEMBL9536954 0.87 SLC6A9 (0.41) HRH1SLC6A9MAPTKDM4ENOS2

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-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