SCHEMBL5147675

SCHEMBL5147675

CCC(C)COc1ccc(-c2ccc(OCC(C)CC)c(OCC(C)CC)c2)cc1OCC(C)CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
MCHR1 Q99705 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DHODH Q02127 1/20 0.37
S1PR1 P21453 1/20 0.36
IGF1R P08069 1/20 0.36

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
SCHEMBL2764055 0.84 TLR8 (0.38) TLR8ALDH1A1GAAPDE4APDE4B
SCHEMBL13607200 0.83 KDM4E (0.47) TLR8ALDH1A1GAAPDE4APDE4B
SCHEMBL5885519 0.83 TLR8 (0.37) TLR8ALDH1A1GAAPDE4APDE4B
SCHEMBL5885008 0.83 S1PR1 (0.37) TLR8ALDH1A1GAAPDE4APDE4B
SCHEMBL2766658 0.81 TLR8 (0.43) TLR8ALDH1A1GAAPDE4APDE4B
SCHEMBL13044262 0.81 TLR8 (0.36) TLR8ALDH1A1GAAPDE4APDE4B
SCHEMBL801374 0.81 TLR8 (0.36) TLR8ALDH1A1GAAPDE4APDE4B
SCHEMBL12856555 0.80 MAPT (0.40) TLR8ALDH1A1PDE4APDE4BPDE4C
SCHEMBL5649980 0.79 TLR8 (0.54) TLR8ALDH1A1MCHR1KDM4EL3MBTL1
SCHEMBL5885877 0.78 HTT (0.39) ALDH1A1GAAMEN1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7288617-B2 Conjugated polymers containing spirobifluorene units and fluorene units, and the use thereof MERCK PATENT GMBH (DE) 2007-10-30 US 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