Oxalic Acid

Oxalic Acid

SCHEMBL9536039

Cc1csc(NCCN2CCCCC2)n1.Cc1csc(NCCN2CCCCC2)n1.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O

nearest known ligand 0.66

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 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.66
USP2 O75604 1/20 0.66
ALOX15 P16050 1/20 0.66
HSD17B10 Q99714 1/20 0.66
FPR3 P25089 1/20 0.47
FPR2 P25090 1/20 0.47
ALDH1A1 P00352 4/20 0.46
PLAU P00749 1/20 0.46
PIK3CG P48736 1/20 0.45
RAB9A P51151 1/20 0.45
DHFR P00374 1/20 0.43
EGFR P00533 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
PKM P14618 1/20 0.41
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL9536249 0.92 KDM4E (0.53) KDM4EUSP2ALOX15HSD17B10FPR3
SCHEMBL9715442 0.82 DHFR (0.50) KDM4EUSP2ALOX15HSD17B10FPR3
SCHEMBL13763209 0.79 PIK3CG (0.56) KDM4EHSD17B10ALDH1A1PLAUPIK3CG
SCHEMBL10473121 0.78 SMN1; SMN2 (0.57) KDM4EHSD17B10ALDH1A1PLAURAB9A
SCHEMBL12894447 0.75 PLAU (0.46) KDM4EUSP2ALOX15HSD17B10PLAU
SCHEMBL4532805 0.73 PIK3CG (0.82) KDM4EHSD17B10ALDH1A1PIK3CG
SCHEMBL15286489 0.73 RAB9A (0.49) KDM4EUSP2ALOX15HSD17B10ALDH1A1
SCHEMBL9537766 0.73 NPC1 (0.61) KDM4EALOX15HSD17B10ALDH1A1PLAU
Oxalic Acid SCHEMBL9536045 0.73 USP2 (0.57) KDM4EUSP2ALOX15HSD17B10ALDH1A1
SCHEMBL4523767 0.72 PIK3CG (0.83) KDM4EHSD17B10ALDH1A1PIK3CG

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
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed