Oxalic Acid

Oxalic Acid

SCHEMBL9807286

Cc1ccc(Cn2c(NC3CCCN(C4CCCCC4)CC3)nc3cccnc32)o1.O=C(O)C(=O)O.O=C(O)C(=O)O

nearest known ligand 0.41

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 19)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 1/20 0.36
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ENPP2 Q13822 1/20 0.40
RXFP1 Q9HBX9 3/20 0.39
TP53 P04637 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
OPRK1 P41145 1/20 0.36
OGFRL1 Q5TC84 1/20 0.36
CCR4 P51679 1/20 0.36

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 SCHEMBL9807288 1.00 ALDH1A1 (0.41) ALDH1A1HPGDMEN1KMT2AENPP2
Oxalic Acid SCHEMBL9630637 0.89 MEN1 (0.42) ALDH1A1HPGDMEN1KMT2AENPP2
Oxalic Acid SCHEMBL9630643 0.89 MEN1 (0.42) ALDH1A1HPGDMEN1KMT2AENPP2
Oxalic Acid SCHEMBL9629530 0.85 MEN1 (0.40) ALDH1A1HPGDMEN1KMT2AENPP2
Oxalic Acid SCHEMBL9629525 0.85 MEN1 (0.40) ALDH1A1HPGDMEN1KMT2AENPP2
Oxalic Acid SCHEMBL9687737 0.83 MEN1 (0.42) ALDH1A1HPGDMEN1KMT2AENPP2
SCHEMBL9630539 0.83 NOS2 (0.48) ALDH1A1HPGDMEN1KMT2AMAPT
Oxalic Acid SCHEMBL9687735 0.83 MEN1 (0.42) ALDH1A1HPGDMEN1KMT2AENPP2
SCHEMBL9629623 0.82 WHR1 (0.39) ALDH1A1HPGDMEN1KMT2ARXFP1
SCHEMBL9630536 0.82 MEN1 (0.42) ALDH1A1MEN1KMT2ATP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5071846-A Anti-hystaminic [(bicyclic heterocyclyl) methyl and --hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1991-12-10 US disclosed
US-4988689-A Antiallergens, antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-01-29 US disclosed