SCHEMBL8227402

SCHEMBL8227402

CCCCCOc1ccccc1OC(CC)(OCC)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADRA2A P08913 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LTA4H P09960 1/20 0.39
PDE5A O76074 2/20 0.39

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
SCHEMBL8224341 0.95 CYP1A2 (0.49) L3MBTL1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL8225068 0.83 L3MBTL1 (0.46) L3MBTL1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL6651604 0.79 CYP1A2 (0.63) L3MBTL1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL30096940 0.79 CYP1A2 (0.63) L3MBTL1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL10996220 0.79 CYP1A2 (0.47) L3MBTL1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL8223213 0.78 CYP1A2 (0.50) L3MBTL1CYP1A2CYP2C9CYP2C19MAPT
1-Ethoxy-2-Pentoxybenzene SCHEMBL1276813 0.77 L3MBTL1 (0.69) L3MBTL1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL2245919 0.77 LMNA (0.62) L3MBTL1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL1964196 0.77 LMNA (0.62) L3MBTL1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL9387360 0.77 LMNA (0.62) L3MBTL1CYP1A2CYP2C9CYP2C19MAPT

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
US-6140274-A Dihalopropene compounds, their use as insecticides/acaricides and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-10-31 US disclosed