SCHEMBL2764055

SCHEMBL2764055

CCC(C)COc1ccc(-c2cc(OCC(C)CC)c(OCC(C)CC)cc2Br)cc1OCC(C)CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
MCHR1 Q99705 1/20 0.35
S1PR1 P21453 9/20 0.35
XDH P47989 1/20 0.33
DHODH Q02127 1/20 0.32
S1PR3 Q99500 3/20 0.32
HSD17B10 Q99714 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
IGF1R P08069 1/20 0.31

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
SCHEMBL5147675 0.84 TLR8 (0.45) TLR8PDE4APDE4BPDE4CPDE4D
SCHEMBL5885519 0.78 TLR8 (0.37) TLR8PDE4APDE4BPDE4CPDE4D
SCHEMBL5885008 0.78 S1PR1 (0.37) TLR8PDE4APDE4BPDE4CPDE4D
SCHEMBL12856555 0.78 MAPT (0.40) TLR8PDE4APDE4BPDE4CPDE4D
SCHEMBL2766658 0.78 TLR8 (0.43) TLR8PDE4APDE4BPDE4CPDE4D
SCHEMBL4415267 0.76 EGFR (0.34) TLR8ALDH1A1MCHR1HSD17B10SMN1; SMN2
SCHEMBL13957126 0.75 PTPN11 (0.50) S1PR1S1PR3SMN1; SMN2MAPTHPGD
SCHEMBL11957246 0.73 TLR8 (0.33) TLR8PDE4APDE4BPDE4CPDE4D
SCHEMBL132074 0.73 TLR8 (0.37) TLR8PDE4APDE4BPDE4CPDE4D
SCHEMBL5885877 0.73 HTT (0.39) ALDH1A1GAADHODHHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723455-B2 Conjugated polymers containing dihydrophenanthrene units and use thereof MERCK PATENT GMBH (DE) 2010-05-25 US disclosed
EP-1656408-B1 CONJUGATED POLYMERS CONTAINING DIHYDROPHENANTHRENE UNITS AND USE THEREOF MERCK PATENT GMBH (DE) 2010-04-14 EP disclosed
US-7288617-B2 Conjugated polymers containing spirobifluorene units and fluorene units, and the use thereof MERCK PATENT GMBH (DE) 2007-10-30 US disclosed
US-20070060736-A1 Conjugated polymers containing dihydrophenanthrene units and use thereof MERCK PATENT GMBH (DE) 2007-03-15 US disclosed
EP-1656408-A2 CONJUGATED POLYMERS CONTAINING DIHYDROPHENANTHRENE UNITS AND USE THEREOF Covion Organic Semiconductors GmbH (DE) 2006-05-17 EP disclosed
WO-2005014689-A2 CONJUGATED POLYMERS CONTAINING DIHYDROPHENANTHRENE UNITS AND USE THEREOF COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2005-02-17 WO disclosed
EP-1381639-B1 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND FLUORENE UNITS, AND THE USE THEREOF COVION ORGANIC SEMICONDUCTORS (DE) 2004-09-08 EP disclosed
US-20040135131-A1 Conjugated polymers containing spirobifluorene units and fluorene units, and the use thereof MERCK PATENT GMBH (DE) 2004-07-15 US disclosed
EP-1381639-A1 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND FLUORENE UNITS, AND THE USE THEREOF Covion Organic Semiconductors GmbH (DE) 2004-01-21 EP disclosed
WO-2002077060-A1 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND FLUORENE UNITS, AND THE USE THEREOF COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2002-10-03 WO disclosed