SCHEMBL1155844

SCHEMBL1155844

CCC(C)COc1cc2c(cc1OCC(C)CC)C1(c3cc(OCC(C)CC)c(OCC(C)CC)cc3-2)c2ccccc2-c2cccc(B(O)O)c21

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.36
MCHR1 Q99705 1/20 0.33
IGF1R P08069 1/20 0.32
PDK2 Q15119 2/20 0.32
FFAR1 O14842 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
ENPP2 Q13822 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
SCHEMBL6825504 0.86 TLR8 (0.43) TLR8MCHR1IGF1RPDK2FFAR1
SCHEMBL1155842 0.84 TLR8 (0.36) TLR8MCHR1IGF1RPDK2FFAR1
SCHEMBL17153143 0.79 TLR8 (0.38) TLR8MCHR1IGF1RPDK2FFAR1
SCHEMBL13205036 0.79 TLR8 (0.38) TLR8MCHR1IGF1RPDK2FFAR1
SCHEMBL4420240 0.78 TLR8 (0.34) TLR8MCHR1IGF1R
SCHEMBL12856495 0.78 PDK2 (0.39) TLR8IGF1RPDK2FFAR1
SCHEMBL4410658 0.76 TLR8 (0.36) TLR8MCHR1IGF1RPDK2
SCHEMBL13205035 0.76 TLR8 (0.34) TLR8MCHR1IGF1RPDK2FFAR1
SCHEMBL15593071 0.74 ESR1 (0.40) PDK2ENPP2
SCHEMBL16360991 0.74 PDK2 (0.35) TLR8IGF1RPDK2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7883785-B2 5'-mono-, 5',5''-bis- and 5',5'',5'''-tris-aryl/heteroaryl-functionalized tris-orthometallated organorhodium and organoiridium compounds; readily soluble triplet emitters MERCK PATENT GMBH (DE) 2011-02-08 US disclosed
US-20060127696-A1 Rhodium and iridium complexes COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2006-06-15 US disclosed