SCHEMBL3963323

SCHEMBL3963323

C#CCc1c(CCCC)cccc1NC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
EP300 Q09472 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT5 Q92993 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
CLCN2 P51788 1/20 0.36
PTGS2 P35354 1/20 0.36
SLC16A3 O15427 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35

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
SCHEMBL3962321 0.91 POLB (0.42) POLBBIDMCL1BCL2L1BAK1
SCHEMBL2023835 0.87 POLB (0.48) POLBBIDMCL1BCL2L1BAK1
SCHEMBL2024699 0.83 BID (0.50) POLBBIDMCL1BCL2L1BAK1
SCHEMBL2021133 0.82 BID (0.52) POLBBIDMCL1BCL2L1BAK1
SCHEMBL2023252 0.82 BID (0.52) POLBBIDMCL1BCL2L1BAK1
SCHEMBL15093736 0.79 POLB (0.51) POLBBIDMCL1BCL2L1BAK1
SCHEMBL29580560 0.79 POLB (0.51) POLBBIDMCL1BCL2L1BAK1
SCHEMBL2019462 0.78 POLB (0.58) POLBSLC16A3HDAC3HDAC4HDAC1
SCHEMBL2020241 0.77 METAP2 (0.42) POLBCYSLTR2CYSLTR1SLC16A3TSHR
SCHEMBL2021365 0.77 CLCN2 (0.43) POLBCLCN2PTGS2HDAC3HDAC4

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-2009036235-A2 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (ACHE) VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2009-03-19 WO disclosed