Oxalic Acid

Oxalic Acid

SCHEMBL6969816

CCOC(=O)C1CCN(CC=C2c3ccccc3COc3ccccc32)CC1.O=C(O)C(=O)O

nearest known ligand 0.54

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 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
TBXA2R P21731 2/20 0.52
HRH1 P35367 2/20 0.52
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 1/20 0.48
LTA4H P09960 1/20 0.44
MEN1 O00255 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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 SCHEMBL8720463 0.90 TBXA2R (0.53) RAB9ARXFP1TBXA2RHRH1ALDH1A1
SCHEMBL6964102 0.85 KDM4E (0.56) RAB9AALDH1A1KDM4EKMT2ATSHR
SCHEMBL6971107 0.85 TBXA2R (0.60) TBXA2RHRH1ALDH1A1KDM4EKMT2A
Oxalic Acid SCHEMBL6970867 0.82 KDM4E (0.47) RAB9AHRH1ALDH1A1KDM4EKMT2A
SCHEMBL7463247 0.79 ALDH1A1 (0.51) RAB9ARXFP1ALDH1A1KDM4EKMT2A
Oxalic Acid SCHEMBL6965830 0.77 KDM4E (0.42) ALDH1A1KDM4EKMT2ATSHRHSD17B10
SCHEMBL8717428 0.77 TBXA2R (0.60) TBXA2RHRH1TSHRLTA4HHSD17B10
Hydrochloric Acid SCHEMBL7609379 0.77 TBXA2R (0.59) TBXA2RHRH1ALDH1A1LTA4H
SCHEMBL19154143 0.76 ALDH1A1 (0.50) ALDH1A1KDM4EKMT2ATSHRLTA4H
SCHEMBL8720453 0.75 ALDH1A1 (0.56) ALDH1A1KDM4EKMT2ATSHRMEN1

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
EP-0934313-B1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK AS (DK) 2003-05-14 EP disclosed
US-6004983-A ANALGESICS; ANTIINFLAMMATORY, ANTIARTHRITIC AND ANTIDIABETIC AGENTS NOVO NORDISK A/S (DE) 1999-12-21 US disclosed
EP-0934313-A1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1999-08-11 EP disclosed
WO-1998015549-A1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-04-16 WO disclosed