Oxalic Acid

Oxalic Acid

SCHEMBL9795235

CC(C)(N)C(=O)NC[C@@H]1CCCC[C@H]1O.O=C(O)C(=O)O

nearest known ligand 0.36

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 0.30
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
TSHR P16473 1/20 0.34
OPRK1 P41145 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDO2 P48775 2/20 0.32
IDO1 P14902 1/20 0.32
DPP4 P27487 1/20 0.32
PTGS1 P23219 7/20 0.31
PTGS2 P35354 6/20 0.31
MT-CO1 P00395 1/20 0.31
MT-CO2 P00403 1/20 0.31
CYP2D6 P10635 1/20 0.31
P2RX7 Q99572 2/20 0.31
PREP P48147 1/20 0.31
FAP Q12884 1/20 0.31
OPRL1 P41146 1/20 0.30

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 SCHEMBL9795230 1.00 CA1 (0.36) CA1CA2CA4TSHROPRK1
SCHEMBL9497838 0.95 CA1 (0.39) CA1CA2CA4TSHROPRK1
SCHEMBL9795378 0.95 CA1 (0.39) CA1CA2CA4TSHROPRK1
Oxalic Acid SCHEMBL9795140 0.85 CA1 (0.41) CA1CA2CA4TSHRSMN1; SMN2
Oxalic Acid SCHEMBL9795133 0.85 CA1 (0.41) CA1CA2CA4TSHRSMN1; SMN2
SCHEMBL9498434 0.80 CA1 (0.44) CA1CA2CA4TSHRSMN1; SMN2
SCHEMBL9795241 0.75 IDO1 (0.33) SMN1; SMN2HSD17B10TDO2IDO1
SCHEMBL2396886 0.75 CYP2D6 (0.47) CA1CA2CA4TSHRTDO2
SCHEMBL30421032 0.75 CA1 (0.47) CA1CA2CA4TSHRTDO2
SCHEMBL19116649 0.73 CA1 (0.39) CA1CA2CA4TSHRSMN1; SMN2

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-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed