SCHEMBL6525949

SCHEMBL6525949

[CH]1CCCCCC(CC2CCCC[CH]CCCCC2)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
CHRM5 P08912 2/20 0.33
CYP1A2 P05177 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
SIGMAR1 Q99720 1/20 0.31
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
CYP2B6 P20813 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
SCHEMBL6522230 1.00 NOS1 (0.34) NOS1NOS2CHRM5CYP1A2ADRA2C
SCHEMBL6522102 1.00 NOS1 (0.34) NOS1NOS2CHRM5CYP1A2ADRA2C
SCHEMBL6519471 1.00 NOS1 (0.34) NOS1NOS2CHRM5CYP1A2ADRA2C
SCHEMBL6518345 1.00 NOS1 (0.34) NOS1NOS2CHRM5CYP1A2ADRA2C
SCHEMBL6523228 0.94 NOS1 (0.30) NOS1NOS2
SCHEMBL21410916 0.89 NOS1 (0.34) NOS1NOS2CHRM5CYP1A2ADRA2C
SCHEMBL6522300 0.83
SCHEMBL6516930 0.83 CYP1A2 (0.44) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL6524227 0.83 CYP1A2 (0.44) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL6520301 0.83 CYP1A2 (0.44) CHRM5CYP1A2ADRA2CCHRM2CHRM4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487071-B2 Polyether polymer and production process thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-16 US disclosed
US-20110065889-A1 POLYETHER POLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-17 US disclosed