Oxalic Acid

Oxalic Acid

SCHEMBL9536045

Cc1csc(NC(C)N2CCCCC2)n1.Cc1csc(NC(C)N2CCCCC2)n1.Cc1csc(NC(C)N2CCCCC2)n1.Cc1csc(NC(C)N2CCCCC2)n1.Cc1csc(NC(C)N2CCCCC2)n1.Cc1csc(NC(C)N2CCCCC2)n1.Cc1csc(NC(C)N2CCCCC2)n1.O=C(O)C(=O)O.O=C(O)C(=O)O

nearest known ligand 0.57

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 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.57
KDM4E B2RXH2 2/20 0.57
ALOX15 P16050 1/20 0.57
HSD17B10 Q99714 1/20 0.57
RAB9A P51151 3/20 0.46
FDPS P14324 1/20 0.46
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 1/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL9536253 0.92 FDPS (0.45) USP2KDM4EALOX15HSD17B10RAB9A
SCHEMBL9715445 0.83 L3MBTL1 (0.49) USP2KDM4EALOX15HSD17B10RAB9A
SCHEMBL10473123 0.77 SMN1; SMN2 (0.57) KDM4EHSD17B10RAB9ATSHRLMNA
SCHEMBL9537775 0.74 NPC1 (0.52) ALOX15HSD17B10RAB9ALMNAALDH1A1
Oxalic Acid SCHEMBL9536039 0.73 KDM4E (0.66) USP2KDM4EALOX15HSD17B10RAB9A
SCHEMBL2777930 0.71 FDPS (0.58) RAB9AFDPSALDH1A1SMN1; SMN2NPC1
SCHEMBL30986000 0.71 USP2 (0.60) USP2KDM4EALOX15HSD17B10RAB9A
SCHEMBL31461158 0.69 KDM4E (0.58) USP2KDM4EALOX15HSD17B10RAB9A
SCHEMBL13351522 0.68 FDPS (0.59) KDM4EHSD17B10RAB9AFDPSALDH1A1
SCHEMBL9539151 0.67 ALDH1A1 (0.48) USP2KDM4ERAB9AFDPSTSHR

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