Oxalic Acid

Oxalic Acid

SCHEMBL7329508

Fc1ccc(CN2CCC(c3ccc(F)cc3)CC2)cc1.O=C(O)C(=O)O

nearest known ligand 0.60

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 8)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.60
SIGMAR1 Q99720 3/20 0.57
SLC18A3 Q16572 2/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HRH3 Q9Y5N1 2/20 0.55
ATM Q13315 1/20 0.54
HTR2A P28223 1/20 0.53

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
SCHEMBL10556550 0.91 MEN1 (0.61) CHRM4SIGMAR1SLC18A3MEN1KMT2A
SCHEMBL7329656 0.86 MEN1 (0.74) CHRM4SIGMAR1SLC18A3MEN1KMT2A
SCHEMBL29869413 0.84 MEN1 (0.54) CHRM4SIGMAR1SLC18A3MEN1KMT2A
Hydrochloric Acid SCHEMBL11499589 0.82 MEN1 (0.52) CHRM4SIGMAR1SLC18A3MEN1KMT2A
SCHEMBL6994717 0.80 HTR2A (0.64) SIGMAR1HTR2A
SCHEMBL19493714 0.79 SLC18A3 (0.70) SIGMAR1SLC18A3MEN1KMT2A
SCHEMBL5577360 0.78 MCHR1 (0.60) CHRM4SIGMAR1MEN1KMT2AHTR2A
SCHEMBL30567998 0.77 DRD2 (0.62) SIGMAR1HRH3HTR2A
Hydrochloric Acid SCHEMBL9811466 0.77 DRD2 (0.61) SIGMAR1SLC18A3KMT2AHTR2A
SCHEMBL7179272 0.77 MEN1 (0.68) CHRM4SIGMAR1MEN1KMT2AHTR2A

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
US-4032642-A SEDATIVES, TRANQUILIZERS A. H. ROBINS COMPANY, INCORPORATED (US) 1977-06-28 US disclosed
US-3956296-A ANTIINFLAMMATORY, SEDATIVES, TRANQUILIZERS A. H. ROBINS COMPANY, INCORPORATED (US) 1976-05-11 US disclosed