SCHEMBL12433818

SCHEMBL12433818

CCCCc1ccc(N2c3ccc(C(C)(C)C)cc3Oc3cc(C(C)(C)C)ccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.40
FAAH O00519 1/20 0.40
SIGMAR1 Q99720 5/20 0.37
KCNH2 Q12809 1/20 0.36
COMT P21964 1/20 0.33
PLK1 P53350 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
HPGD P15428 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
STS P08842 1/20 0.32
PGR P06401 1/20 0.32
RORA P35398 1/20 0.32
RORC P51449 1/20 0.32
RORB Q92753 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
SCHEMBL14724259 0.93 CNR2 (0.38) MGLLFAAHSIGMAR1KCNH2STS
SCHEMBL14870477 0.90 MGLL (0.38) MGLLFAAHSIGMAR1COMTPLK1
SCHEMBL13460350 0.90 MGLL (0.38) MGLLFAAHSIGMAR1COMTPLK1
SCHEMBL12786788 0.89 CNR2 (0.40) MGLLFAAHCOMT
SCHEMBL13354849 0.88 CNR2 (0.39) MGLLFAAH
SCHEMBL13890877 0.86 FAAH (0.33) MGLLFAAHSIGMAR1PLK1CA1
SCHEMBL12644165 0.86 CNR2 (0.38) MGLLFAAHCOMT
SCHEMBL19996768 0.85 CNR2 (0.43) MGLLFAAHNPC1RAB9A
SCHEMBL14981055 0.85 FAAH (0.34) MGLLFAAHNPC1RAB9A
SCHEMBL14981044 0.85 CNR2 (0.37) MGLLFAAHCOMTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7982212-B2 Copolymer and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-19 US disclosed
US-7982212-B2 Copolymer and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-19 US disclosed
US-20100176376-A1 COPOLYMER AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY , LIMITED (JP) 2010-07-15 US disclosed
US-20100176376-A1 COPOLYMER AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY , LIMITED (JP) 2010-07-15 US disclosed