Oxalic Acid

Oxalic Acid

SCHEMBL6591344

Cc1cc2cc(N)ccc2o1.O=C(O)C(=O)O

nearest known ligand 0.59

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
FLT3 P36888 2/20 0.59
DYRK1A Q13627 1/20 0.50
CA2 P00918 2/20 0.47
NPC1 O15118 2/20 0.46
MAOB P27338 3/20 0.41
F12 P00748 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PIM1 P11309 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40

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
SCHEMBL2790760 0.89 DYRK1A (0.59) FLT3DYRK1ACA2NPC1MAOB
Hydrochloric Acid SCHEMBL2482195 0.87 DYRK1A (0.58) FLT3DYRK1ACA2NPC1MAOB
Dimethylamine SCHEMBL2103953 0.84 DYRK1A (0.54) FLT3DYRK1ACA2NPC1MAOB
SCHEMBL3487776 0.77 FLT3 (0.76) FLT3CA2NPC1LMNASMN1; SMN2
SCHEMBL11235825 0.76 CHRNA7 (0.43) DYRK1ACA2NPC1MAOBCA12
SCHEMBL3488095 0.75 FLT3 (0.73) FLT3DYRK1ACA2NPC1MAOB
SCHEMBL566569 0.75 TP53 (0.52) DYRK1ACA2NPC1MAOBCA12
SCHEMBL2255398 0.74 FLT3 (0.61) FLT3CA2MAOBCA12CA4
SCHEMBL30493800 0.74 FLT3 (0.61) FLT3CA2MAOBCA12CA4
SCHEMBL31060249 0.74 FLT3 (1.00) FLT3DYRK1ACA2NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1156803-A4 LACTAM INHIBITORS OF FXa AND METHOD BRISTOL MYERS SQUIBB CO (US) 2004-03-17 EP disclosed
EP-1156803-A1 LACTAM INHIBITORS OF FXa AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-28 EP disclosed
US-6297233-B1 Lactam inhibitors of FXa and method BRISTOL-MYERS SQUIBB COMPANY 2001-10-02 US disclosed
WO-2000047207-A1 LACTAM INHIBITORS OF FXa AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2000-08-17 WO disclosed