SCHEMBL17469171

SCHEMBL17469171

C#CC1(NC(=O)CC)CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
POLB P06746 1/20 0.59
KMT2A Q03164 1/20 0.59
THRB P10828 1/20 0.40
ANO1 Q5XXA6 2/20 0.36
LMNA P02545 1/20 0.36
PDE4A P27815 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PAX8 Q06710 1/20 0.32
RECQL P46063 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL27991912 0.79 KDM4E (0.45) POLBKDM4EATMCTDSP1TDP1
SCHEMBL3329673 0.79 MEN1 (0.65) MEN1POLBKMT2ATHRBANO1
SCHEMBL23573325 0.76 MEN1 (0.61) MEN1POLBKMT2ATHRBANO1
SCHEMBL3332204 0.76 MEN1 (0.61) MEN1POLBKMT2ATHRBANO1
SCHEMBL12666587 0.74 MEN1 (0.59) MEN1POLBKMT2ATHRBPDE4A
SCHEMBL21177433 0.74 MEN1 (0.58) MEN1POLBKMT2ATHRBANO1
SCHEMBL13684412 0.73 MEN1 (0.57) MEN1POLBKMT2ATHRBLMNA
SCHEMBL8684589 0.72 ANO1 (0.37) MEN1POLBKMT2AANO1LMNA
SCHEMBL28734388 0.72 LMNA (0.36) MEN1POLBKMT2ALMNAKDM4E
SCHEMBL15427227 0.71 CTSS (0.42) KDM4EATMTDP1

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-2016012333-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-28 WO disclosed