SCHEMBL4582881

SCHEMBL4582881

O=c1c(CO)cocc1CO

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
KDM4E B2RXH2 2/20 0.38
CASP6 P55212 1/20 0.38
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
MAPT P10636 1/20 0.33
TYR P14679 1/20 0.33
DAO P14920 1/20 0.33
MCL1 Q07820 1/20 0.32

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
SCHEMBL7972364 0.85 MAOB (0.41) MAOBKDM4ECASP6GRIA1GRIA2
SCHEMBL4651248 0.82
SCHEMBL8942216 0.82 MAOB (0.39) MAOBKDM4ECASP6TYRDAO
SCHEMBL5253316 0.72 LDHA (0.35) MAOB
SCHEMBL11091048 0.70
SCHEMBL5738121 0.70
SCHEMBL19359843 0.70
SCHEMBL9013313 0.70
SCHEMBL16710879 0.70
SCHEMBL16710776 0.70

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
WO-2008022633-A2 SEMICONDUCTING ADDITION POLYMERS HAVING A COLUMNAR STRUCTURE WERNER JOHANNES (DE) 2008-02-28 WO disclosed