SCHEMBL4434696

SCHEMBL4434696

CC(C)CCCC(C)CCOc1cc(Br)ccc1C=Cc1cc(OCCC(C)CCCC(C)C)c(C=Cc2ccc(Br)cc2OCCC(C)CCCC(C)C)cc1OCCC(C)CCCC(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.36
HPGD P15428 2/20 0.35
FDPS P14324 2/20 0.34
ALOX5 P09917 1/20 0.34
LMNA P02545 1/20 0.33
AR P10275 2/20 0.33
EGFR P00533 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
APP P05067 1/20 0.32
GGPS1 O95749 1/20 0.32
HDAC8 Q9BY41 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GSTO1 P78417 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL4430381 0.97 TLR8 (0.37) TLR8HPGDFDPSALOX5LMNA
SCHEMBL4430378 0.97 TLR8 (0.37) TLR8HPGDFDPSALOX5LMNA
SCHEMBL2903068 0.84 CHRNA7 (0.36) TLR8FDPSALOX5LMNAEGFR
SCHEMBL2903065 0.84 CHRNA7 (0.36) TLR8FDPSALOX5LMNAEGFR
SCHEMBL2906169 0.83 LMNA (0.37) TLR8HPGDFDPSALOX5LMNA
SCHEMBL4563654 0.83 LMNA (0.37) TLR8HPGDFDPSALOX5LMNA
SCHEMBL11957249 0.81 HTR2A (0.37) HPGDLMNATDP1
SCHEMBL1956965 0.80 ALOX5 (0.41) TLR8HPGDFDPSALOX5LMNA
SCHEMBL7585689 0.77 GSTO1 (0.45) FDPSALOX5LMNAGGPS1NPSR1
SCHEMBL5021731 0.77 PTPN1 (0.32) TLR8HPGDFDPSALOX5CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074600-B1 Polymeric fluorescent substance and polymer light emitting device SUMITOMO CHEMICAL CO (JP) 2009-06-03 EP disclosed
US-6984459-B1 Polymeric fluorescent substance and polymer light emitting device SUMITO CHEMICAL COMPANY, LIMITED (JP) 2006-01-10 US disclosed
EP-1074600-A2 Polymeric fluorescent substance and polymer light emitting device SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-07 EP disclosed