Oxalic Acid

Oxalic Acid

SCHEMBL7327776

CCCCCN1CCOC(COc2ccc(F)cc2)C1.O=C(O)C(=O)O

nearest known ligand 0.57

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 5)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 12/20 0.57
KDM4E B2RXH2 1/20 0.53
HTT P42858 1/20 0.53
HRH3 Q9Y5N1 2/20 0.48
SIGMAR1 Q99720 1/20 0.45

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 SCHEMBL7328948 0.85 DRD4 (0.54) DRD4KDM4EHRH3
SCHEMBL27991036 0.81 DRD4 (0.62) DRD4HRH3SIGMAR1
Oxalic Acid SCHEMBL9528825 0.81 KDM4E (0.53) KDM4EHTTHRH3
SCHEMBL7328953 0.78 DRD4 (0.57) DRD4HRH3
SCHEMBL19381943 0.76 DRD4 (0.67) DRD4HRH3SIGMAR1
Oxalic Acid SCHEMBL9699030 0.75 KDM4E (0.56) KDM4EHTTHRH3
SCHEMBL9527998 0.74 MEN1 (0.51) HTTHRH3
SCHEMBL9372865 0.74 SIGMAR1 (0.49) SIGMAR1
Hydrochloric Acid SCHEMBL9374823 0.73 SIGMAR1 (0.48) SIGMAR1
Oxalic Acid SCHEMBL7327098 0.72 SSTR5 (0.51) KDM4EHTTHRH3

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
EP-0629190-A1 COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-12-21 EP disclosed
WO-1993015052-A1 COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-08-05 WO disclosed