Oxalic Acid

Oxalic Acid

SCHEMBL2389436

CC(C(=O)O)c1cccc(CNCCO)c1.O=C(O)C(=O)O

nearest known ligand 0.44

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
PTGS1 P23219 3/20 0.44
PTGS2 P35354 3/20 0.44
MAPT P10636 2/20 0.44
CXCR1 P25024 2/20 0.44
CXCR2 P25025 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
RECQL P46063 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
PMP22 Q01453 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CXCL8 P10145 1/20 0.44
THPO P40225 1/20 0.44
HIF1A Q16665 1/20 0.44
FFAR1 O14842 1/20 0.44

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 SCHEMBL2389235 0.86 MEN1 (0.47) PTGS1KDM4EALDH1A1RECQLMAPK1
Oxalic Acid SCHEMBL2390867 0.83 PTGS2 (0.49) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL2389438 0.82 MEN1 (0.41) PTGS1PTGS2KDM4EMEN1KMT2A
SCHEMBL13999438 0.81 BACE1 (0.50) SMN1; SMN2BCHEBACE1
SCHEMBL9425565 0.78 PTGS2 (0.56) PTGS1PTGS2MAPTCXCR1CXCR2
Diethanolamine SCHEMBL27740427 0.78 PTGS2 (0.55) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL30995663 0.76 SMN1; SMN2 (0.54) MAPTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL66534 0.76 PTGS2 (0.64) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL29393183 0.76 PTGS2 (0.64) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL1345158 0.76 PTGS2 (0.64) PTGS1PTGS2MAPTCXCR1CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012964-B2 9-substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-06 US disclosed