Oxalic Acid

Oxalic Acid

SCHEMBL7689014

CC1CC(O)CC(c2cccc(Cl)c2)N1.O=C(O)C(=O)O

nearest known ligand 0.40

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 18)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SLC6A3 Q01959 3/20 0.36
HDAC2 Q92769 1/20 0.36
RIPK1 Q13546 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
CTBP2 P56545 1/20 0.34

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 SCHEMBL7592103 1.00 SLC9A1 (0.40) SLC9A1ALDH1A1MAPTTSHRHPGD
SCHEMBL6984509 0.93 ALDH1A1 (0.41) SLC9A1ALDH1A1MAPTTSHRHPGD
SCHEMBL7677811 0.93 ALDH1A1 (0.41) SLC9A1ALDH1A1MAPTTSHRHPGD
SCHEMBL6984952 0.93 ALDH1A1 (0.41) SLC9A1ALDH1A1MAPTTSHRHPGD
Hydrochloric Acid SCHEMBL7592478 0.92 ALDH1A1 (0.40) SLC9A1ALDH1A1MAPTTSHRHPGD
Hydrochloric Acid SCHEMBL7594196 0.92 ALDH1A1 (0.40) SLC9A1ALDH1A1MAPTTSHRHPGD
Hydrochloric Acid SCHEMBL7696213 0.92 ALDH1A1 (0.40) SLC9A1ALDH1A1MAPTTSHRHPGD
Fumaric Acid SCHEMBL7591644 0.91 SLC9A1 (0.38) SLC9A1ALDH1A1MAPTTSHRHPGD
Fumaric Acid SCHEMBL7592486 0.91 SLC9A1 (0.38) SLC9A1ALDH1A1MAPTTSHRHPGD
Oxalic Acid SCHEMBL7595700 0.84 MEN1 (0.41) SLC9A1ALDH1A1LMNAMEN1KMT2A

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-6451789-B1 CENTRAL NERVOUS SYSTEM DISORDERS; COGNITION ACTIVATORS LES LABORTOIRES SERVIER (FR) 2002-09-17 US disclosed
US-6323222-B1 COGNITION ACTIVATORS, ALZHEIMER*S DISEASE AND ENZYME INHIBITORS ADIR ET COMPAGNIE (FR) 2001-11-27 US disclosed