SCHEMBL5652512

SCHEMBL5652512

CCC(C)CC1(CC(C)CC)c2ccccc2-c2ccc(C3(O)c4cc(Br)ccc4-c4ccc(Br)cc43)cc21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 9/20 0.41
SCN9A Q15858 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
PTPRC P08575 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
SCHEMBL5502914 0.89 PDK2 (0.43) PDK2OPRM1OPRD1SLC6A2SLC6A4
SCHEMBL5653817 0.89 PDK2 (0.43) PDK2OPRM1OPRD1SLC6A2SLC6A4
SCHEMBL5496894 0.84 PDK2 (0.40) PDK2PTPRC
SCHEMBL5499014 0.84 PDK2 (0.40) PDK2PTPRC
SCHEMBL5502638 0.84 PDK2 (0.40) PDK2PTPRC
SCHEMBL5502237 0.84 PDK2 (0.40) PDK2PTPRC
SCHEMBL5504622 0.82 PDK2 (0.35) PDK2PTPRC
SCHEMBL19831170 0.82 PDK2 (0.35) PDK2PTPRC
SCHEMBL3817365 0.79 PDK2 (0.41) PDK2SCN9AMEN1KMT2A
SCHEMBL5652886 0.78 TLR8 (0.32) PDK2

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
WO-2006101313-A1 ELECTROLUMINESCENT POLYMER HAVING 9-FLUOREN-2-YL-2,7-FLUORENYL UNITS AND THE ELECTROLUMINESCENT DEVICE PREPARED USING THE SAME SK CORPORATION (KR) 2006-09-28 WO disclosed
US-20060216545-A1 Electroluminescent polymer having 9-fluoren-2-yl-2,7-fluorenyl unit and electroluminescent device using same SK CORPORATION (KR) 2006-09-28 US disclosed