SCHEMBL6825504

SCHEMBL6825504

CCC(C)COc1cc2c(cc1OCC(C)CC)C1(c3ccccc3-c3ccccc31)c1cc(OCC(C)CC)c(OCC(C)CC)cc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.43
IGF1R P08069 1/20 0.38
MCHR1 Q99705 1/20 0.37
PDK2 Q15119 7/20 0.35
FFAR1 O14842 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
OPRK1 P41145 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ESR1 P03372 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
SCHEMBL13205036 0.92 TLR8 (0.38) TLR8IGF1RMCHR1PDK2FFAR1
SCHEMBL17153143 0.92 TLR8 (0.38) TLR8IGF1RMCHR1PDK2FFAR1
SCHEMBL4410658 0.89 TLR8 (0.36) TLR8IGF1RMCHR1PDK2
SCHEMBL1155842 0.88 TLR8 (0.36) TLR8IGF1RMCHR1PDK2FFAR1
SCHEMBL12856495 0.88 PDK2 (0.39) TLR8IGF1RPDK2FFAR1LMNA
SCHEMBL13205035 0.86 TLR8 (0.34) TLR8IGF1RMCHR1PDK2FFAR1
SCHEMBL1155844 0.86 TLR8 (0.36) TLR8IGF1RMCHR1PDK2FFAR1
SCHEMBL134317 0.85 TLR8 (0.34) TLR8IGF1RPDK2FFAR1KDM4E
SCHEMBL12595641 0.84 TLR8 (0.36) TLR8IGF1RMCHR1PDK2PDE4A
SCHEMBL4546505 0.84 TLR8 (0.36) TLR8IGF1RMCHR1PDK2PDE4A

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
WO-2015149911-A1 WHITE LIGHT EMISSION MERCK PATENT GMBH (DE) 2015-10-08 WO 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