SCHEMBL5504622

SCHEMBL5504622

CC[C@H](C)CC1(C[C@@H](C)CC)c2cc(Br)ccc2-c2ccc(Br)cc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.35
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
AKR1A1 P14550 1/20 0.31
AKR1B1 P15121 1/20 0.31
PTPRC P08575 1/20 0.31
S100A4 P26447 1/20 0.31
TDP2 O95551 1/20 0.30
BCL2 P10415 1/20 0.30
MCL1 Q07820 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 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
SCHEMBL19831170 1.00 PDK2 (0.35) PDK2DPP8DPP9DPP7AKR1A1
SCHEMBL5502914 0.92 PDK2 (0.43) PDK2PTPRC
SCHEMBL5653817 0.92 PDK2 (0.43) PDK2PTPRC
SCHEMBL5505074 0.91 PDK2 (0.31) PDK2
SCHEMBL5501884 0.89 PDK2 (0.32) PDK2
SCHEMBL5498380 0.89 PDK2 (0.32) PDK2
SCHEMBL5502237 0.87 PDK2 (0.40) PDK2PTPRC
SCHEMBL5496894 0.87 PDK2 (0.40) PDK2PTPRC
SCHEMBL5502638 0.87 PDK2 (0.40) PDK2PTPRC
SCHEMBL5499014 0.87 PDK2 (0.40) PDK2PTPRC

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
EP-1425168-A4 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS UNIV ROCHESTER (US) 2007-01-03 EP disclosed
US-7057009-B2 Crosslinking polyfluorene; molecular orientation UNIVERSITY OF ROCHESTER (US) 2006-06-06 US disclosed
EP-1425168-A2 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS University of Rochester (US) 2004-06-09 EP disclosed
US-20030039838-A1 Light-emitting organic oligomer compositions UNIVERSITY OF ROCHESTER 2003-02-27 US disclosed
WO-2003008475-A2 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS UNIVERSITY OF ROCHESTER (US) 2003-01-30 WO disclosed