Oxalic Acid

Oxalic Acid

SCHEMBL7311161

COc1ccccc1OC(CCN)c1ccccc1.O=C(O)C(=O)O

nearest known ligand 0.86

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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 8/20 0.59
SLC6A2 P23975 11/20 0.59
CYP2D6 P10635 6/20 0.59
SLC6A3 Q01959 3/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
TSHR P16473 1/20 0.59
CYP2C19 P33261 1/20 0.59
PMP22 Q01453 1/20 0.58
SLC6A9 P48067 1/20 0.57
NOS2 P35228 7/20 0.55
HTR1A P08908 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
KCNK2 O95069 1/20 0.45
KCNH2 Q12809 1/20 0.45
CACNA1C Q13936 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
SCHEMBL5306302 0.93 SLC6A2 (0.68) SLC6A2SLC6A4CYP2D6SLC6A3KMT2A
Hydrochloric Acid SCHEMBL7306045 0.91 SLC6A2 (0.68) SLC6A2SLC6A4CYP2D6SLC6A3KMT2A
Oxalic Acid SCHEMBL4936002 0.86 SLC6A2 (0.59) SLC6A2SLC6A4CYP2D6SLC6A3KMT2A
Oxalic Acid SCHEMBL7317717 0.84 SLC6A2 (0.60) SLC6A2SLC6A4CYP2D6SLC6A3NOS2
Oxalic Acid SCHEMBL7310180 0.81 FFAR1 (0.52) SLC6A2SLC6A4CYP2D6SLC6A3KMT2A
SCHEMBL5397302 0.80 SLC6A2 (0.58) SLC6A2SLC6A4CYP2D6SLC6A3KMT2A
SCHEMBL5405164 0.80 SLC6A2 (0.55) SLC6A2SLC6A4CYP2D6SLC6A3KMT2A
SCHEMBL19668660 0.80 SLC6A2 (0.62) SLC6A2SLC6A4CYP2D6SLC6A3KMT2A
SCHEMBL14415625 0.78 SLC6A2 (0.50) SLC6A2SLC6A4CYP2D6SLC6A3KMT2A
SCHEMBL5397001 0.78 SLC6A2 (0.59) SLC6A2SLC6A4CYP2D6SLC6A3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4626549-A Treatment of obesity with aryloxyphenylpropylamines ELI LILLY AND COMPANY (US) 1986-12-02 US disclosed
US-4313896-A ANTIDEPRESSANTS, PSYCHOTROPIC AGENTS ELI LILLY AND COMPANY (US) 1982-02-02 US disclosed
US-4314081-A ANTIDEPRESSANTS ELI LILLY AND COMPANY (US) 1982-02-02 US disclosed
US-4194009-A ANTIDEPRESSANT ELI LILLY AND COMPANY (US) 1980-03-18 US disclosed
US-4018895-A Aryloxyphenylpropylamines in treating depression ELI LILLY AND COMPANY (US) 1977-04-19 US disclosed