Oxalic Acid

Oxalic Acid

SCHEMBL3554

CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccco1.O=C(O)C(=O)O

nearest known ligand 0.62

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 10/20 0.62
OPRM1 known ✓ P35372 2/20 0.62
SLC6A2 P23975 5/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
LMNA P02545 4/20 0.62
SLC6A3 Q01959 4/20 0.62
NPC1 O15118 2/20 0.62
CYP2D6 P10635 2/20 0.62
CYP2C19 P33261 2/20 0.62
MTOR P42345 2/20 0.62
RAB9A P51151 2/20 0.62
CYP3A4 P08684 2/20 0.62
HTR2C P28335 2/20 0.62
HRH3 Q9Y5N1 2/20 0.62
KDM4E B2RXH2 1/20 0.62
TP53 P04637 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
ALOX15 P16050 1/20 0.62

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
Fumaric Acid SCHEMBL7769270 0.93 SLC6A4 (0.58) SLC6A4SLC6A2MEN1KMT2ALMNA
Maleic Acid SCHEMBL7769265 0.93 SLC6A4 (0.58) SLC6A4SLC6A2MEN1KMT2ALMNA
Oxalic Acid SCHEMBL3801 0.84 SLC6A4 (0.62) SLC6A4OPRM1HRH3SLC6A9OPRD1
Fluoxetine SCHEMBL8722258 0.84 SLC6A4 (0.88) SLC6A4SLC6A2MEN1KMT2ALMNA
Oxalic Acid SCHEMBL10359725 0.80 SLC6A2 (0.62) SLC6A4SLC6A2MEN1KMT2ALMNA
Oxalic Acid SCHEMBL4739531 0.80 SLC6A4 (0.72) SLC6A4SLC6A2MEN1KMT2ALMNA
Fluoxetine SCHEMBL6008121 0.79 SLC6A4 (0.88) SLC6A4SLC6A2MEN1KMT2ALMNA
Oxalic Acid SCHEMBL4739361 0.79 SLC6A4 (0.70) SLC6A4SLC6A2MEN1KMT2ALMNA
Fluoxetine SCHEMBL3242735 0.78 SLC6A4 (0.86) SLC6A4SLC6A2MEN1KMT2ALMNA
SCHEMBL3555 0.78 OPRM1 (0.43) SLC6A4SLC6A2MEN1KMT2ALMNA

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 3 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