SCHEMBL14966176

SCHEMBL14966176

[CH2]COc1c(CC)cccc1CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.44
GABRB2 P47870 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HTR1A P08908 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ELANE P08246 1/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
PDK2 Q15119 1/20 0.32
MGLL Q99685 1/20 0.32
SCN5A Q14524 2/20 0.32
NLRP3 Q96P20 1/20 0.32
TP53 P04637 1/20 0.32
CACNA1C Q13936 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL11145730 0.78 MAPT (0.41) GABRA1GABRB2L3MBTL1MAPTNPSR1
Nitrogen SCHEMBL10975955 0.77 MAPT (0.47) GABRA1GABRB2L3MBTL1MAPTNPSR1
SCHEMBL3034958 0.76 L3MBTL1 (0.60) L3MBTL1MAPTNPSR1HPGDATM
SCHEMBL11361204 0.75 GABRA1 (0.52) GABRA1GABRB2L3MBTL1MAPTNPSR1
SCHEMBL8408142 0.73 GABRA1 (0.50) GABRA1GABRB2L3MBTL1MAPTNPSR1
SCHEMBL9545380 0.72 KMT2A (0.58) GABRA1GABRB2L3MBTL1HPGDKDM4E
SCHEMBL16954554 0.72 L3MBTL1 (0.43) GABRA1GABRB2L3MBTL1MAPTNPSR1
SCHEMBL12482259 0.72 GABRA1 (0.45) GABRA1GABRB2L3MBTL1MAPTNPSR1
SCHEMBL9233724 0.72 L3MBTL1 (0.43) GABRA1GABRB2L3MBTL1MAPTNPSR1
SCHEMBL293013 0.71 SCN4A (0.52) SCN5ACACNA1CKCNH2KDM4E

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-2013074965-A1 AMINOALKYL PHENOL ETHER INHIBITORS OF INFLUENZA A VIRUS MICROBIOTIX, INC. (US) 2013-05-23 WO disclosed