SCHEMBL28035285

SCHEMBL28035285

O=C(CC(=O)C(=O)O)OO

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 2/20 0.38
FEN1 P39748 9/20 0.36
ERCC5 P28715 8/20 0.36
PTPN1 P18031 2/20 0.36
MAPK1 P28482 1/20 0.35
SLC13A3 Q8WWT9 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
HAO1 Q9UJM8 3/20 0.33
TSHR P16473 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
SCHEMBL7907029 0.77
SCHEMBL11487172 0.77 MGAM (0.52) OR51E2FEN1ERCC5PTPN1MAPK1
SCHEMBL2587467 0.75
SCHEMBL14996454 0.74 OR51E2 (0.36) OR51E2FEN1ERCC5PTPN1MAPK1
SCHEMBL292473 0.73 OR51E2 (0.53) OR51E2FEN1ERCC5PTPN1MAPK1
SCHEMBL28745777 0.73
Malonic Acid SCHEMBL29131842 0.73 LDHA (0.56) OR51E2EGLN1TSHR
SCHEMBL28881618 0.73
Ammonia Solution, Strong SCHEMBL28486185 0.73
SCHEMBL9128428 0.73 LDHA (0.47) OR51E2EGLN1TSHR

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
CN-104994732-A Composition comprising peroxyacid CHD BIOSCIENCE INC 2015-10-21 CN disclosed