Oxalic Acid

Oxalic Acid

SCHEMBL8570731

CCC1Cc2c([nH]c3ccc(NC(=O)c4ccco4)cc23)C(N)C1.CCC1Cc2c([nH]c3ccc(NC(=O)c4ccco4)cc23)C(N)C1.O.O=C(O)C(=O)O.O=C(O)C(=O)O

nearest known ligand 0.52

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
SMN1; SMN2 Q16637 9/20 0.52
MAPT P10636 6/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
ALOX15 P16050 1/20 0.52
CASP1 P29466 1/20 0.52
NPC1 O15118 11/20 0.44
RAB9A P51151 11/20 0.44
TP53 P04637 7/20 0.42
PKM P14618 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.40
ITK Q08881 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL8483964 0.97 SMN1; SMN2 (0.55) SMN1; SMN2MAPTMEN1KMT2AKDM4E
SCHEMBL8573370 0.84 BRD4 (0.47) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL8571431 0.81 BRD4 (0.47) SMN1; SMN2MAPTMEN1KMT2AKDM4E
SCHEMBL8573335 0.79 HTR1F (0.44) MAPTALDH1A1TP53LMNA
SCHEMBL8582744 0.79 KCNK3 (0.44) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL8580172 0.79 HTR1F (0.43) MAPTNPC1RAB9A
SCHEMBL8567836 0.78 PRMT5 (0.48) SMN1; SMN2MAPTMEN1KMT2AKDM4E
SCHEMBL8603866 0.78 KMT2A (0.45) MEN1KMT2ANPC1RAB9A
SCHEMBL8568716 0.78 ITK (0.39) ALDH1A1HPGDITKHTTRECQL
SCHEMBL8573391 0.77 MAPT (0.41) SMN1; SMN2MAPTMEN1KMT2AKDM4E

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
WO-1998006402-A1 TREATMENT OF THE COMMON COLD OR ALLERGIC RHINITIS ELI LILLY AND COMPANY (US) 1998-02-19 WO disclosed