SCHEMBL3363702

SCHEMBL3363702

CCC(=O)Cc1nc(C2CCCCC2)co1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.34
RORC P51449 1/20 0.34
KMO O15229 1/20 0.33
CTSK P43235 3/20 0.33
CTSS P25774 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PSMB8 P28062 1/20 0.31
PSMB9 P28065 1/20 0.31
PSMB5 P28074 1/20 0.31
CNR2 P34972 6/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 1/20 0.30
TRPV3 Q8NET8 1/20 0.30
ADCY1 Q08828 1/20 0.30
CNR1 P21554 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
SCHEMBL3396241 0.89 CTSK (0.34) ABL1RORCKMOCTSKCTSS
SCHEMBL3424196 0.85 KMO (0.35) ABL1RORCKMOCTSKCTSS
SCHEMBL3422558 0.84 ABL1 (0.37) ABL1RORCKMOL3MBTL1CNR2
SCHEMBL3362563 0.82 PSMB8 (0.35) ABL1RORCKMOL3MBTL1PSMB8
SCHEMBL3363705 0.77 L3MBTL1 (0.34) ABL1KMOCTSKCTSSL3MBTL1
SCHEMBL3362566 0.75 PSMB8 (0.34) ABL1KMOPSMB8PSMB9PSMB5
SCHEMBL3361917 0.72 RORC (0.46) ABL1RORCKMOCTSKCTSS
SCHEMBL3394084 0.72 PSMB8 (0.34) ABL1KMOL3MBTL1PSMB8PSMB9
SCHEMBL10263650 0.71 USP7 (0.34) CNR2
SCHEMBL11937007 0.68 HCRTR2 (0.33)

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