SCHEMBL4006487

SCHEMBL4006487

CCCCCCCCCCOc1ccc2c3cccc4cccc(c5cccc1c52)c43

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.54
CNR2 P34972 3/20 0.54
CYP2C9 P11712 1/20 0.52
HTR1B P28222 5/20 0.48
MCHR1 Q99705 2/20 0.47
HTR1D P28221 1/20 0.46
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A4 P31645 1/20 0.44
KCNA3 P22001 1/20 0.44
TLR8 Q9NR97 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL20678376 0.89 CNR1 (0.52) CNR1CNR2CYP2C9HTR1BMCHR1
SCHEMBL20678369 0.89 CNR1 (0.52) CNR1CNR2CYP2C9HTR1BMCHR1
SCHEMBL28418856 0.89 CNR1 (0.52) CNR1CNR2CYP2C9HTR1BMCHR1
SCHEMBL20678483 0.89 CNR1 (0.52) CNR1CNR2CYP2C9HTR1BMCHR1
SCHEMBL3999003 0.89 CNR1 (0.52) CNR1CNR2CYP2C9HTR1BMCHR1
SCHEMBL8916479 0.87 CNR1 (0.51) CNR1CNR2CYP2C9HTR1BMCHR1
SCHEMBL6530706 0.84 CNR1 (0.49) CNR1CNR2CYP2C9HTR1BMCHR1
Octane SCHEMBL27664965 0.81 KCNH2 (0.48) CNR1CNR2MEN1HTTKMT2A
SCHEMBL7616127 0.80 HTR1B (0.69) CNR1CNR2CYP2C9HTR1BHTR1D
SCHEMBL20506760 0.80 HTR1B (0.69) CNR1CNR2CYP2C9HTR1BHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592376-B2 Photopolymerizable epoxide and oxetane compositions RENSSELAER POLYTECHNIC INSTITUTE (US) 2009-09-22 US claimed
US-20060041032-A1 Photopolymerizable epoxide and oxetane compositions CRIVELLO JAMES V 2006-02-23 US claimed
US-7592376-B2 Photopolymerizable epoxide and oxetane compositions RENSSELAER POLYTECHNIC INSTITUTE (US) 2009-09-22 US disclosed
US-20080113283-A1 SILOXANE EPOXY POLYMERS FOR REDISTRIBUTION LAYER APPLICATIONS POLYSET COMPANY, INC. (US) 2008-05-15 US disclosed
WO-2007127984-A2 SILOXANE EPOXY POLYMERS FOR REDISTRIBUTION LAYER APPLICATIONS POLYSET COMPANY, INC. (US) 2007-11-08 WO disclosed
US-20060041032-A1 Photopolymerizable epoxide and oxetane compositions CRIVELLO JAMES V 2006-02-23 US disclosed