Oxalic Acid

Oxalic Acid

SCHEMBL11878751

Cc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1.O=C(O)C(=O)O

nearest known ligand 0.70

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
ERAP2 Q6P179 1/20 0.70
ITGB2 P05107 4/20 0.69
ICAM1 P05362 4/20 0.69
ITGAL P20701 4/20 0.69
HDAC8 Q9BY41 2/20 0.68
HDAC3 O15379 1/20 0.68
HDAC4 P56524 1/20 0.68
HDAC1 Q13547 1/20 0.68
HDAC7 Q8WUI4 1/20 0.68
HDAC2 Q92769 1/20 0.68
HDAC10 Q969S8 1/20 0.68
HDAC11 Q96DB2 1/20 0.68
HDAC6 Q9UBN7 1/20 0.68
HDAC9 Q9UKV0 1/20 0.68
HDAC5 Q9UQL6 1/20 0.68
P2RY14 Q15391 1/20 0.66
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA9 Q16790 1/20 0.65
TACR1 P25103 3/20 0.64

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
SCHEMBL21623652 0.98 ERAP2 (0.72) ERAP2ITGB2ICAM1ITGALHDAC8
SCHEMBL11875059 0.98 ERAP2 (0.72) ERAP2ITGB2ICAM1ITGALHDAC8
SCHEMBL11864161 0.98 ERAP2 (0.72) ERAP2ITGB2ICAM1ITGALHDAC8
SCHEMBL9466705 0.90 ITGB2 (0.78) ERAP2ITGB2ICAM1ITGALCA12
SCHEMBL30616778 0.90 ITGB2 (0.78) ERAP2ITGB2ICAM1ITGALCA12
SCHEMBL5259129 0.90 ITGB2 (0.78) ERAP2ITGB2ICAM1ITGALCA12
SCHEMBL5191302 0.90 ITGB2 (0.78) ERAP2ITGB2ICAM1ITGALCA12
SCHEMBL11870861 0.89 ERAP2 (0.76) ERAP2ITGB2ICAM1ITGALCA12
SCHEMBL22206876 0.88 ITGB2 (0.77) ERAP2ITGB2ICAM1ITGALCA12
SCHEMBL22206878 0.88 ITGB2 (0.77) ERAP2ITGB2ICAM1ITGALCA12

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-4000297-A GASTROENTERIC ACTIVITY ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1976-12-28 US disclosed