Oxalic Acid

Oxalic Acid

SCHEMBL8187201

O=C(O)C(=O)O.O=C1NCCCc2ccccc21

nearest known ligand 0.66

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
PARP11 Q9NR21 8/20 0.66
PARP10 Q53GL7 8/20 0.66
PARP1 P09874 4/20 0.66
PDPK1 O15530 1/20 0.66
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
CYP2A6 P11509 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
GRM5 P41594 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42

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
SCHEMBL1894080 0.91 PARP10 (0.78) PARP11PARP10PARP1PDPK1CA12
SCHEMBL20076060 0.86 PARP10 (0.75) PARP11PARP10PARP1PDPK1CA12
SCHEMBL29752161 0.86 PARP10 (0.75) PARP11PARP10PARP1PDPK1CA12
SCHEMBL29369705 0.80 PARP10 (1.00) PARP11PARP10PARP1PDPK1CA12
SCHEMBL67710 0.80 PARP10 (1.00) PARP11PARP10PARP1PDPK1CA12
Hydrochloric Acid SCHEMBL29896921 0.78 PARP10 (0.96) PARP11PARP10PARP1PDPK1CA12
Hydrochloric Acid SCHEMBL10647408 0.78 PARP10 (0.96) PARP11PARP10PARP1PDPK1CA12
Trifluoroacetic Acid SCHEMBL28415123 0.78 PARP10 (0.72) PARP11PARP10PARP1PDPK1CA12
Oxalic Acid SCHEMBL7825836 0.77 MAPT (0.56) CA12CA9MAPTKDM4ECASP7
Piperazine SCHEMBL28321362 0.75 PARP10 (0.89) PARP11PARP10PARP1PDPK1CA12

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6107308-A ANTIHISTAMINE; LEUTRIENE ANTAGONIST KOWA CO., LTD. (JP) 2000-08-22 US disclosed