Oxalic Acid

Oxalic Acid

SCHEMBL4659

CN(C)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccsc1.O=C(O)C(=O)O

nearest known ligand 0.64

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
SLC6A4 known ✓ P31645 4/20 0.64
HRH3 Q9Y5N1 4/20 0.64
SLC6A9 P48067 11/20 0.57
HTR1A P08908 1/20 0.51
UTS2R Q9UKP6 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
THPO P40225 1/20 0.44
MTOR P42345 1/20 0.44

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
SCHEMBL7433161 0.93 SLC6A4 (0.69) SLC6A4HRH3SLC6A9HTR1AKDM4E
Oxalic Acid SCHEMBL7317614 0.85 SLC6A4 (0.88) SLC6A4HRH3SLC6A9KDM4EMEN1
Oxalic Acid SCHEMBL3980 0.85 SLC6A4 (0.64) SLC6A4HRH3SLC6A9HTR1AKDM4E
Oxalic Acid SCHEMBL4740319 0.83 SLC6A4 (0.72) SLC6A4HRH3SLC6A9UTS2RCYP2D6
Oxalic Acid SCHEMBL10359897 0.81 SLC6A4 (0.62) SLC6A4HRH3SLC6A9UTS2R
SCHEMBL679320 0.79 SLC6A4 (1.00) SLC6A4HRH3SLC6A9KDM4EMEN1
SCHEMBL29700710 0.79 SLC6A4 (1.00) SLC6A4HRH3SLC6A9KDM4EMEN1
SCHEMBL4660 0.77 HTR1A (0.46) SLC6A4HRH3SLC6A9HTR1AKDM4E
Oxalic Acid SCHEMBL3801 0.77 SLC6A4 (0.62) SLC6A4HRH3SLC6A9UTS2R
SCHEMBL13780465 0.76 SLC6A9 (0.77) SLC6A4HRH3SLC6A9KDM4EMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5023269-A 3-aryloxy-3-substituted propanamines ELI LILLY AND COMPANY (US) 1991-06-11 US disclosed
EP-0273658-B1 3-ARYLOXY-3-SUBSTITUTED PROPANAMINES ELI LILLY AND COMPANY (US) 1990-10-31 EP disclosed
US-4956388-A ANTIDEPRESSANTS, ANTIANXIETY, TREATMENT OF OBESITY, ADDICTION TO SMOKING AND ALCOHOL ELI LILLY AND COMPANY (US) 1990-09-11 US disclosed
EP-0273658-A1 3-Aryloxy-3-substituted propanamines ELI LILLY AND COMPANY (US) 1988-07-06 EP disclosed