Oxalic Acid

Oxalic Acid

SCHEMBL9537337

Fc1ccc(Cn2c(CC3CCN(CCNc4ncccn4)CC3)nc3ccncc32)cc1.O=C(O)C(=O)O.O=C(O)C(=O)O

nearest known ligand 0.44

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 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 2/20 0.43
TP53 P04637 3/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC6A9 P48067 1/20 0.40
KCNH2 Q12809 1/20 0.40
GRIN2B Q13224 1/20 0.39
KDM1A O60341 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SSTR5 P35346 1/20 0.39
DHFR P00374 1/20 0.39
GAA P10253 1/20 0.39

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 SCHEMBL9537334 1.00 ENPP2 (0.44) ENPP2HPGDMAPTTP53LMNA
SCHEMBL9537238 0.95 KCNH2 (0.43) ENPP2HPGDMAPTLMNAHTT
Oxalic Acid SCHEMBL9540171 0.90 ENPP2 (0.44) ENPP2HPGDMAPTTP53LMNA
Oxalic Acid SCHEMBL9540168 0.90 ENPP2 (0.44) ENPP2HPGDMAPTTP53LMNA
Oxalic Acid SCHEMBL10802671 0.87 GRIN2B (0.41) TP53LMNASMN1; SMN2SLC6A9GRIN2B
Oxalic Acid SCHEMBL9538513 0.87 GRIN2B (0.41) TP53LMNASMN1; SMN2SLC6A9GRIN2B
Oxalic Acid SCHEMBL9538518 0.87 GRIN2B (0.41) TP53LMNASMN1; SMN2SLC6A9GRIN2B
SCHEMBL9536807 0.86 SSTR5 (0.50) MAPTTP53LMNAHTTSMN1; SMN2
Oxalic Acid SCHEMBL9537142 0.84 HPGD (0.43) ENPP2HPGDMAPTTP53LMNA
Oxalic Acid SCHEMBL9537131 0.84 HPGD (0.43) ENPP2HPGDMAPTTP53LMNA

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-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed
US-4839374-A TREATING ALLERGIES JANSSEN PHARMACEUTICA, N.V. (BE) 1989-06-13 US disclosed
US-4695575-A ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1987-09-22 US disclosed