Oxalic Acid

Oxalic Acid

SCHEMBL6965697

CCOC(=O)c1cccnc1N1CCN(CCOC2c3ccccc3CSc3ccccc32)CC1.O.O=C(O)C(=O)O

nearest known ligand 0.48

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 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.41
CHIA Q9BZP6 1/20 0.37
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD11B1 P28845 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DRD4 P21917 1/20 0.37
HTT P42858 2/20 0.36

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
SCHEMBL6955705 0.89 KMT2A (0.43) CHIAKDM4EKMT2AMAPTGAA
SCHEMBL6955707 0.81 DRD2 (0.37) KDM4EKMT2AMAPTGAACYP2C19
SCHEMBL6960271 0.76 ALDH1A1 (0.42) OPRK1CHIAKDM4EKMT2AMAPT
SCHEMBL6964123 0.71 HTR1A (0.51) OPRK1CHIAKMT2AHSD11B1ALDH1A1
SCHEMBL2456713 0.71 PRMT1 (0.53) OPRK1KDM4EHSD11B1ALDH1A1L3MBTL1
SCHEMBL7242387 0.71 MAPT (0.57) OPRK1CHIAKDM4EKMT2AMAPT
SCHEMBL7166882 0.70 GRIN1 (0.52) OPRK1ALDH1A1DRD4
Oxalic Acid SCHEMBL6959134 0.69 DRD2 (0.53) DRD4
SCHEMBL21384397 0.69 OPRK1 (0.56) OPRK1CHIAKDM4EKMT2AMAPT
SCHEMBL6963659 0.69 HRH1 (0.45) OPRK1CHIAHSD11B1ALDH1A1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934312-B1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK AS (DK) 2003-03-19 EP disclosed
US-6133268-A 1,4-disubstituted piperazines NOVO NORDISK A/S (DK) 2000-10-17 US disclosed
US-6040302-A ANTIINFLAMMATORY AGENTS TREATING RHEUMATOID ARTHRITIS, MIGRAINE OR ITCHING, INSULIN RESISTANCE IN NON-INSULIN-DEPENDENT DIABETES MELLITUS AND AGEING-ASSOCIATED OBESITY NOVO NORDISK A/S (DK) 2000-03-21 US disclosed
US-6004961-A ANTIINFLAMMATORY AGENTS, ANALGESICS; NON-INSULIN-DEPENDENT DIABETES; AGE-RELATED OBESITY; DIBENZO(D,G)(1,3,6)DIOXAZOCINE DERIVATIVES NOVO NORDISK A/S (DK) 1999-12-21 US disclosed
EP-0934312-A1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK A/S (DK) 1999-08-11 EP disclosed
WO-1998015548-A1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK A/S (DK) 1998-04-16 WO disclosed