Oxalic Acid

Oxalic Acid

SCHEMBL28812698

NCC(O)CN1CCOCC1.O=C(O)C(=O)O

nearest known ligand 0.62

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 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.62
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 4/20 0.47
POLB P06746 2/20 0.47
ALOX15 P16050 1/20 0.47
ANPEP P15144 1/20 0.46
HSD17B10 Q99714 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ABCB1 P08183 4/20 0.44
PLK1 P53350 1/20 0.43
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL2779513 0.91 USP2 (0.75) USP2ALDH1A1KDM4EPOLBANPEP
SCHEMBL457031 0.91 USP2 (0.75) USP2ALDH1A1KDM4EPOLBANPEP
SCHEMBL2780188 0.91 USP2 (0.75) USP2ALDH1A1KDM4EPOLBANPEP
Hydrochloric Acid SCHEMBL27963136 0.89 USP2 (0.72) USP2ALDH1A1KDM4EPOLBANPEP
SCHEMBL709506 0.78 USP2 (1.00) USP2ALDH1A1KDM4EPOLBANPEP
SCHEMBL4495691 0.76 USP2 (0.64) USP2ALDH1A1KDM4EANPEPHSD17B10
SCHEMBL4493204 0.76 USP2 (0.64) USP2ALDH1A1KDM4EANPEPHSD17B10
SCHEMBL4509344 0.76 USP2 (0.64) USP2ALDH1A1KDM4EANPEPHSD17B10
SCHEMBL719936 0.76 MEN1 (0.52) USP2KDM4EHSD17B10L3MBTL1TSHR
SCHEMBL8577369 0.75 HSD17B10 (0.69) USP2ALDH1A1KDM4EPOLBALOX15

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
CN-103958515-A Amino-substituted imidazopyridazines BAYER IP GMBH 2014-07-30 CN disclosed