SCHEMBL17153143

SCHEMBL17153143

CCC(C)COc1cc2c(cc1OCC(C)CC)C1(c3ccccc3-c3ccccc31)c1cc(C)ccc1-2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.38
PDK2 Q15119 8/20 0.37
IGF1R P08069 1/20 0.34
MCHR1 Q99705 1/20 0.33
ELANE P08246 1/20 0.32
FFAR1 O14842 1/20 0.31
NPC1 O15118 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
PTPRC P08575 1/20 0.30
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL13205036 1.00 TLR8 (0.38) TLR8PDK2IGF1RMCHR1ELANE
SCHEMBL4546505 0.94 TLR8 (0.36) TLR8PDK2IGF1RMCHR1PDE4A
SCHEMBL12595641 0.94 TLR8 (0.36) TLR8PDK2IGF1RMCHR1PDE4A
SCHEMBL6825504 0.92 TLR8 (0.43) TLR8PDK2IGF1RMCHR1FFAR1
SCHEMBL18718107 0.90 ALDH1A1 (0.38) TLR8PDK2IGF1RMCHR1PDE4A
SCHEMBL14461295 0.90 ALDH1A1 (0.38) TLR8PDK2IGF1RMCHR1PDE4A
SCHEMBL12027393 0.90 ALDH1A1 (0.38) TLR8PDK2IGF1RMCHR1PDE4A
SCHEMBL11957248 0.87 TLR8 (0.33) TLR8MCHR1PDE4APDE4BPDE4C
SCHEMBL14322047 0.87 TLR8 (0.33) TLR8MCHR1PDE4APDE4BPDE4C
SCHEMBL13810504 0.85 TLR8 (0.34) TLR8IGF1R

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 1 patent. 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