Oxalic Acid

Oxalic Acid

SCHEMBL8564309

COCCCC(C)NC[C@H](O)c1ccc(O)c(O)c1.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
▸ SLC6A4 known ✓ P31645 2/20 0.49
▸ OPRM1 known ✓ P35372 1/20 0.49
▸ ADRB2 P07550 9/20 0.56
▸ KDM4E B2RXH2 9/20 0.56
▸ MAPT P10636 8/20 0.56
▸ TDP1 Q9NUW8 8/20 0.56
▸ HSD17B10 Q99714 8/20 0.56
▸ TSHR P16473 5/20 0.56
▸ CYP1A2 P05177 5/20 0.56
▸ HIF1A Q16665 5/20 0.56
▸ BLM P54132 4/20 0.56
▸ MAPK1 P28482 4/20 0.56
▸ NFKB1 P19838 4/20 0.56
▸ LMNA P02545 4/20 0.56
▸ GAA P10253 4/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ POLB P06746 3/20 0.56
▸ RXFP1 Q9HBX9 3/20 0.56
▸ CYP3A4 P08684 3/20 0.56

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
Oxalic Acid SCHEMBL8564305 1.00 ADRB2 (0.56) ADRB2KDM4EMAPTTDP1HSD17B10
SCHEMBL8559213 0.94 ADRB2 (0.61) ADRB2KDM4EMAPTTDP1HSD17B10
SCHEMBL8559210 0.94 ADRB2 (0.61) ADRB2KDM4EMAPTTDP1HSD17B10
Oxalic Acid SCHEMBL8563561 0.93 ADRB2 (0.58) ADRB2KDM4EMAPTTDP1HSD17B10
Oxalic Acid SCHEMBL8633452 0.93 ADRB2 (0.58) ADRB2KDM4EMAPTTDP1HSD17B10
SCHEMBL8563374 0.86 ADRB2 (0.64) ADRB2KDM4EMAPTTDP1HSD17B10
SCHEMBL8563377 0.86 ADRB2 (0.64) ADRB2KDM4EMAPTTDP1HSD17B10
Oxalic Acid SCHEMBL8559556 0.84 ADRB2 (0.56) ADRB2KDM4EMAPTTDP1HSD17B10
Oxalic Acid SCHEMBL8558850 0.84 ADRB2 (0.56) ADRB2KDM4EMAPTTDP1HSD17B10
Oxalic Acid SCHEMBL8595705 0.84 ADRB2 (0.56) ADRB2KDM4EMAPTTDP1HSD17B10

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-5775329-A DERIVATIVES OF NOREPINEPHRINE USED TO STIMULATE EXERCISE STRESS AND ITS EFFECTS ON THE HEART. GENSIA, INC. (US) 1998-07-07 — — US disclosed
EP-0833816-A1 METHODS AND COMPOUNDS FOR DIAGNOSING CORONARY ARTERY DISEASE GENSIA, INC. (US) 1998-04-08 — — EP disclosed
WO-1996040621-A1 METHODS AND COMPOUNDS FOR DIAGNOSING CORONARY ARTERY DISEASE GENSIA, INC. (US) 1996-12-19 — — WO disclosed
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