Oxalic Acid

Oxalic Acid

SCHEMBL11705283

CN(C)CCC(C)(C(=O)O)c1ccc(C(=O)c2cccs2)cc1.O=C(O)C(=O)O

nearest known ligand 0.47

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
OPRM1 known ✓ P35372 1/20 0.36
HPGDS O60760 1/20 0.47
ALDH1A1 P00352 6/20 0.44
HPGD P15428 5/20 0.44
KDM4E B2RXH2 4/20 0.44
PTGS1 P23219 3/20 0.44
PTGS2 P35354 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
CYP2C9 P11712 2/20 0.44
LMNA P02545 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 2/20 0.44
ALOX5 P09917 1/20 0.43
POLB P06746 2/20 0.39
SLC6A9 P48067 1/20 0.39
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL16020436 0.81 HPGD (0.49) HPGDSALDH1A1HPGDKDM4EPTGS1
SCHEMBL11701235 0.76 HPGDS (0.62) HPGDSALDH1A1HPGDKDM4EPTGS1
SCHEMBL11370730 0.74 HPGDS (0.55) HPGDSALDH1A1HPGDKDM4EPTGS1
SCHEMBL12042444 0.74 PTGS1 (0.64) HPGDSALDH1A1HPGDKDM4EPTGS1
Oxalic Acid SCHEMBL11706932 0.73 PTGS1 (0.64) HPGDSALDH1A1HPGDKDM4EPTGS1
Oxalic Acid SCHEMBL11703550 0.71 PTGS1 (0.61) HPGDSALDH1A1HPGDKDM4EPTGS1
SCHEMBL6793430 0.70 HPGDS (0.83) HPGDSALDH1A1HPGDKDM4EPTGS1
SCHEMBL28807604 0.69 HPGDS (0.65) HPGDSALDH1A1HPGDKDM4EPTGS1
SCHEMBL11703751 0.68 HPGDS (0.54) HPGDSALDH1A1HPGDKDM4EPTGS1
SCHEMBL8439895 0.67 HPGDS (0.78) HPGDSALDH1A1HPGDKDM4EPTGS1

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
US-4035376-A ESTERS, AMIDES, HYDROXAMIC ACIDS, ANTIINFLAMMATORY JANSSEN PHARMACEUTICA N.V. (BE) 1977-07-12 US claimed