Oxalic Acid

Oxalic Acid

SCHEMBL8562095

CSCCCNC[C@H](O)c1ccc(O)c(O)c1.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
▸ ADRB2 P07550 12/20 0.52
▸ TDP1 Q9NUW8 8/20 0.52
▸ KDM4E B2RXH2 8/20 0.52
▸ MAPT P10636 8/20 0.52
▸ HSD17B10 Q99714 6/20 0.52
▸ BLM P54132 5/20 0.52
▸ TSHR P16473 5/20 0.52
▸ CYP1A2 P05177 4/20 0.52
▸ HIF1A Q16665 4/20 0.52
▸ NFKB1 P19838 3/20 0.52
▸ GAA P10253 3/20 0.52
▸ RXFP1 Q9HBX9 3/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ THPO P40225 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ ADRB1 P08588 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ MAPK1 P28482 4/20 0.50
▸ DRD2 P14416 4/20 0.50

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 SCHEMBL8562089 1.00 ADRB2 (0.52) ADRB2TDP1KDM4EMAPTHSD17B10
Oxalic Acid SCHEMBL8560131 0.96 ADRB2 (0.52) ADRB2TDP1KDM4EMAPTHSD17B10
Oxalic Acid SCHEMBL8562340 0.96 ADRB2 (0.52) ADRB2TDP1KDM4EMAPTHSD17B10
SCHEMBL8563324 0.94 ADRB2 (0.56) ADRB2TDP1KDM4EMAPTHSD17B10
SCHEMBL8563319 0.94 ADRB2 (0.56) ADRB2TDP1KDM4EMAPTHSD17B10
SCHEMBL8560539 0.90 ADRB2 (0.58) ADRB2TDP1KDM4EMAPTHSD17B10
SCHEMBL8560544 0.90 ADRB2 (0.58) ADRB2TDP1KDM4EMAPTHSD17B10
Oxalic Acid SCHEMBL8596320 0.88 ADRB2 (0.50) ADRB2TDP1KDM4EMAPTHSD17B10
Oxalic Acid SCHEMBL8596317 0.88 ADRB2 (0.50) ADRB2TDP1KDM4EMAPTHSD17B10
Oxalic Acid SCHEMBL8596380 0.82 ADRB2 (0.59) ADRB2TDP1KDM4EMAPTHSD17B10

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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