Oxalic Acid

Oxalic Acid

SCHEMBL6589754

COc1cccc(C(=O)NCCN2CCCC(C(=O)N3CCc4cc(OC)c(OC)cc4C3)C2)c1.O=C(O)C(=O)O

nearest known ligand 0.55

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
DRD4 P21917 7/20 0.55
DRD3 P35462 2/20 0.55
PDE4B Q07343 1/20 0.53
KDM2B Q8NHM5 1/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
DRD2 P14416 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TMEM97 Q5BJF2 1/20 0.49
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 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
SCHEMBL6587045 0.98 DRD4 (0.57) DRD4DRD3PDE4BKDM2BKMT2A
Hydrochloric Acid SCHEMBL6586295 0.88 KMT2A (0.54) DRD3PDE4BKDM2BKMT2AMEN1
SCHEMBL3991767 0.86 DRD3 (0.55) DRD4DRD3KDM2BKMT2AMEN1
SCHEMBL6587232 0.86 SIGMAR1 (0.51) DRD3PDE4BKDM2BKMT2AMEN1
SCHEMBL3991771 0.86 DRD3 (0.55) DRD4DRD3KDM2BKMT2AMEN1
SCHEMBL29773210 0.86 DRD3 (0.55) DRD4DRD3KDM2BKMT2AMEN1
SCHEMBL6589095 0.85 KMT2A (0.50) DRD4DRD3PDE4BKDM2BKMT2A
Phosphoric Acid SCHEMBL3996517 0.84 DRD3 (0.53) DRD4DRD3KDM2BKMT2AMEN1
Phosphoric Acid SCHEMBL3996528 0.84 DRD3 (0.53) DRD4DRD3KDM2BKMT2AMEN1
SCHEMBL6587983 0.83 KDM4E (0.53) DRD3KDM2BKMT2AMEN1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1186601-B1 NOVEL ISOQUINOLINE DERIVATIVES OR SALTS THEREOF YAMANOUCHI PHARMA CO LTD (JP) 2004-03-24 EP disclosed
US-6573279-B1 Drug, particularly to a novel isoquinoline derivative or its salt having an If current inhibitory effect without serious side effects such as convulsion and also to a drug, particularly a cardiac rate lowering agent, containing the ASTELLAS PHARMA INC. (JP) 2003-06-03 US disclosed