SCHEMBL3362563

SCHEMBL3362563

CC(C)C(=O)Cc1nc(C2CCCCC2)co1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 4/20 0.35
PSMB9 P28065 4/20 0.35
PSMB5 P28074 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGES O14684 2/20 0.34
KMO O15229 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
TRPV3 Q8NET8 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CYP1A2 P05177 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
GSK3B P49841 1/20 0.32
TP53 P04637 1/20 0.32
RORC P51449 1/20 0.31
NPC1 O15118 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 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
SCHEMBL3424196 0.84 KMO (0.35) PSMB8PSMB9PSMB5L3MBTL1KMO
SCHEMBL3363702 0.82 ABL1 (0.34) PSMB8PSMB9PSMB5L3MBTL1KMO
SCHEMBL3422558 0.80 ABL1 (0.37) L3MBTL1KMORORCHPGDABL1
SCHEMBL3396241 0.80 CTSK (0.34) PSMB8PSMB9PSMB5L3MBTL1KMO
SCHEMBL3362566 0.80 PSMB8 (0.34) PSMB8PSMB9PSMB5PTGESKMO
SCHEMBL3363705 0.76 L3MBTL1 (0.34) PSMB8PSMB9PSMB5L3MBTL1KMO
SCHEMBL10203078 0.69 SCN5A (0.34)
SCHEMBL11529071 0.68 MLYCD (0.37) PSMB8PSMB9PSMB5
SCHEMBL27283627 0.68 PSMB8 (0.34) PSMB8PSMB9PSMB5PTGESLMNA
SCHEMBL2262247 0.67 L3MBTL1 (0.38) PSMB5L3MBTL1NPC1

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-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed