Oxalic Acid

Oxalic Acid

SCHEMBL9600632

CC(C)(C(=NOCCCCC(=O)O)c1cccnc1)c1cccnc1.O=C(O)C(=O)O.O=C(O)C(=O)O

nearest known ligand 0.60

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 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 17/20 0.60
TBXA2R P21731 16/20 0.60
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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 SCHEMBL9600638 1.00 TBXAS1 (0.60) TBXAS1TBXA2RLMNACYP1A2CYP3A4
Oxalic Acid SCHEMBL9600622 1.00 TBXAS1 (0.60) TBXAS1TBXA2RLMNACYP1A2CYP3A4
SCHEMBL9602465 0.85 TBXAS1 (0.69) TBXAS1TBXA2RLMNACYP1A2CYP3A4
SCHEMBL9602469 0.85 TBXAS1 (0.69) TBXAS1TBXA2RLMNACYP1A2CYP3A4
SCHEMBL9601797 0.79 PPARA (0.61) TBXAS1TBXA2R
SCHEMBL9601803 0.79 PPARA (0.61) TBXAS1TBXA2R
SCHEMBL9601790 0.79 PPARA (0.61) TBXAS1TBXA2R
SCHEMBL9602658 0.78 TBXA2R (0.81) TBXAS1TBXA2R
SCHEMBL9602647 0.78 TBXA2R (0.81) TBXAS1TBXA2R
SCHEMBL9602582 0.76 TBXA2R (0.85) TBXAS1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0221601-B1 [[[(3-Pyridinyl)methylen]amino]oxy]alkanoic acids and esters JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-10 EP disclosed
US-5180832-A Chemical intermediate for thromboxane A2 inhibitor JANSSEN PHARMACEUTICA N.V. (BE) 1993-01-19 US disclosed
US-4963573-A INHIBIT BIOSYNTHESIS OF THROMBOXANE A2 JANSSEN PHARMACEUTICA N.V. (BE) 1990-10-16 US disclosed
US-4746671-A THROMBOXANE SYNTHETASE INHIBITION JANSSEN PHARMACEUTICA N.V. (BE) 1988-05-24 US disclosed
EP-0221601-A1 [[[(3-Pyridinyl)methylen]amino]oxy]alkanoic acids and esters JANSSEN PHARMACEUTICA N.V. (BE) 1987-05-13 EP disclosed