Oxalic Acid

Oxalic Acid

SCHEMBL7028461

CC(N)c1cn(C(=O)OC(C)(C)C)cn1.O=C(O)C(=O)O

nearest known ligand 0.35

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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
DGAT2 Q96PD7 1/20 0.35
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.32
CPB1 P15086 1/20 0.31
CPB2 Q96IY4 1/20 0.31
SLC7A5 Q01650 1/20 0.30
PIK3CD O00329 1/20 0.30
ABL1 P00519 1/20 0.30
EGFR P00533 1/20 0.30
HCK P08631 1/20 0.30
SRC P12931 1/20 0.30
KDR P35968 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
MTOR P42345 1/20 0.30
PIK3CG P48736 1/20 0.30
EPHB4 P54760 1/20 0.30
PRKDC P78527 1/20 0.30

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
SCHEMBL5849380 0.82 DGAT2 (0.37) DGAT2HTTATMGPR119CPB1
SCHEMBL21536759 0.79 DGAT2 (0.36) DGAT2HTTATMGPR119
SCHEMBL25836705 0.77 DGAT2 (0.44) DGAT2ATM
SCHEMBL10928236 0.75 DGAT2 (0.34) DGAT2HTTATMGPR119CPB2
SCHEMBL8368700 0.75 CTSS (0.38) DGAT2ATM
SCHEMBL24915163 0.74 GPR119 (0.38) HTTATMGPR119
SCHEMBL7488160 0.74 SLC7A5 (0.42) CPB1CPB2SLC7A5
SCHEMBL29097649 0.74 GPR119 (0.40) DGAT2HTTATMGPR119PIK3CD
SCHEMBL9234857 0.74 DGAT2 (0.33) DGAT2HTTATMGPR119CPB2
SCHEMBL2471937 0.73 GPR119 (0.37) HTTATMGPR119

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-1206265-B1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2003-11-12 EP disclosed
US-6498165-B1 PYRIMIDINE COMPOUNDS; PROPHYLAXIS AND TREATMENT OF SUCH AS IMMUNE DISEASES, HYPERPROLIFERATIVE DISORDERS, CANCER, ANGIOGENSIS, ATHEROSCELEROSIS, GRAFT REJECTION, RHEUMATOID ARTHRITIS, PSORIASIS MERCK & CO., INC. 2002-12-24 US disclosed