SCHEMBL15540435

SCHEMBL15540435

COC(=O)C1CC2(CCCC2)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RORC P51449 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.32
HIF1A Q16665 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.30
BRD4 O60885 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL3403074 0.98 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31756478 0.83 KDM4E (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15684078 0.81 ALDH1A1 (0.45) KDM4EHSD17B10HTTALDH1A1KMT2A
SCHEMBL5111017 0.80 TLR4 (0.43) KDM4EHSD17B10HTTALDH1A1KMT2A
SCHEMBL20073706 0.79 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL855428 0.79 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1528558 0.78 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16248382 0.77 HTT (0.31) HTT
SCHEMBL30015560 0.77 CYP1A2 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2203519 0.77 GPR119 (0.41) ALDH1A1

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-2013185202-A1 APOPTOSIS INDUCERS BETA PHARMA CANADA INC (CA) 2013-12-19 WO disclosed