SCHEMBL3394084

SCHEMBL3394084

CCC(=O)Cc1ncc(C2CCCCC2)o1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.34
PSMB9 P28065 1/20 0.34
PSMB5 P28074 1/20 0.34
S1PR3 Q99500 5/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KCNJ6 P48051 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
ADCY1 Q08828 1/20 0.33
S1PR1 P21453 3/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL24092044 0.77 PTGS1 (0.37) L3MBTL1ADCY1CYP2C19PTGS1PTGS2
SCHEMBL3363702 0.72 ABL1 (0.34) PSMB8PSMB9PSMB5L3MBTL1SMN1; SMN2
SCHEMBL18811570 0.70 CSNK1D (0.43) SMN1; SMN2HTTALDH1A1
SCHEMBL11220642 0.67 KDM4E (0.38) S1PR3L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL11937013 0.67 MAPT (0.37)
SCHEMBL20746812 0.67 NPC1 (0.38) PSMB8PSMB9PSMB5S1PR3L3MBTL1
SCHEMBL21317617 0.67 NPC1 (0.38) PSMB8PSMB9PSMB5S1PR3L3MBTL1
SCHEMBL20389319 0.67 NPC1 (0.38) PSMB8PSMB9PSMB5S1PR3L3MBTL1
SCHEMBL17571951 0.67 TDO2 (0.36) S1PR3L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL3363016 0.66 NOTUM (0.59) SMN1; SMN2NPC1RAB9AKDM4EGLA

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