Oxalic Acid

Oxalic Acid

SCHEMBL7318666

Clc1ccc(ONCCCc2ccccc2)cc1.O=C(O)C(=O)O

nearest known ligand 0.58

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
TAAR1 Q96RJ0 2/20 0.58
PPARG P37231 5/20 0.56
PPARA Q07869 5/20 0.56
CNR1 P21554 2/20 0.53
ADAMTS5 Q9UNA0 3/20 0.53
ADAMTS4 O75173 1/20 0.53
CNR2 P34972 1/20 0.51
ALDH1A1 P00352 2/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
PLAAT3 P53816 1/20 0.48
PLAAT5 Q96KN8 1/20 0.48
PLAAT2 Q9NWW9 1/20 0.48
PLAAT4 Q9UL19 1/20 0.48
LTA4H P09960 1/20 0.47
EPHX2 P34913 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL1045802 0.81 DRD2 (0.58) GAAMEN1KMT2AL3MBTL1
SCHEMBL28079976 0.72 L3MBTL1 (0.56) TAAR1CNR1ALDH1A1GAAEPHX2
Oxalic Acid SCHEMBL7318660 0.71 PPARG (0.66) TAAR1PPARGPPARA
SCHEMBL1101359 0.70 GAA (0.53) TAAR1ALDH1A1GAAMEN1LMNA
SCHEMBL22834239 0.70 CNR1 (1.00) CNR1ALDH1A1TP53MEN1LMNA
SCHEMBL2170220 0.69 TRPV1 (0.64) CNR1ALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL16936556 0.68 CNR1 (0.60) TAAR1CNR1CNR2ALDH1A1GAA
SCHEMBL10812127 0.68 HTR2A (0.60) TAAR1CNR1ALDH1A1TP53GAA
SCHEMBL4897614 0.68 NPC1 (0.58) CNR1ALDH1A1GAAEPHX2MAPT
SCHEMBL27656774 0.68 KMT2A (0.68) TAAR1PPARGPPARAPLAAT3PLAAT5

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-4626549-A Treatment of obesity with aryloxyphenylpropylamines ELI LILLY AND COMPANY (US) 1986-12-02 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