SCHEMBL24842800

SCHEMBL24842800

COC(=O)c1cn(CCCCCCO)cn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GRM2 Q14416 1/20 0.39
CPB2 Q96IY4 3/20 0.38
CYP4A11 Q02928 3/20 0.38
CYP4F2 P78329 2/20 0.38
ADAMTS5 Q9UNA0 2/20 0.38
POLB P06746 1/20 0.36
QPCT Q16769 1/20 0.35
KCNH2 Q12809 1/20 0.34
MAPK1 P28482 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
CPB1 P15086 1/20 0.33
PLA2G4A P47712 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
SYK P43405 1/20 0.33

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
SCHEMBL24842023 1.00 MEN1 (0.40) MEN1KMT2AGRM2CPB2CYP4A11
SCHEMBL26813648 0.94 CPB2 (0.42) MEN1KMT2AGRM2CPB2CYP4A11
SCHEMBL5726708 0.87 CPB2 (0.45) MEN1KMT2AGRM2CPB2CNR1
SCHEMBL26813651 0.85 CPB2 (0.45) MEN1KMT2AGRM2CPB2ADAMTS5
SCHEMBL30893298 0.84 NOTUM (0.45) MEN1KMT2ACYP4A11CYP4F2POLB
SCHEMBL2282033 0.81 CPB2 (0.45) MEN1KMT2AGRM2CPB2ADAMTS5
SCHEMBL24842010 0.80 ADA (0.40) GRM2CPB2CNR1CNR2CPB1
SCHEMBL24842794 0.80 ADA (0.40) GRM2CPB2CNR1CNR2CPB1
SCHEMBL21361934 0.80 MEN1 (0.43) MEN1KMT2AGRM2CPB2ADAMTS5
SCHEMBL15775548 0.80 MEN1 (0.43) MEN1KMT2AGRM2CPB2ADAMTS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023277517-A1 ACYCLIC NUCLEIC ACID MIMIC COMPRISING PENTACYCLIC BASE 동아대학교 산학협력단 2023-01-05 WO disclosed
WO-2023277517-A1 ACYCLIC NUCLEIC ACID MIMIC COMPRISING PENTACYCLIC BASE 동아대학교 산학협력단 2023-01-05 WO disclosed