SCHEMBL16022366

SCHEMBL16022366

CCCc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(CO)ccc5-6)ccc3-4)ccc1-2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.46
CNR2 P34972 4/20 0.41
CNR1 P21554 3/20 0.41
ALOX5 P09917 2/20 0.40
MCL1 Q07820 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
ACVRL1 P37023 1/20 0.34
MPL P40238 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
RARB P10826 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL16017878 0.89 PDK2 (0.44) PDK2CNR2CNR1ALOX5RXRA
SCHEMBL16022389 0.89 PDK2 (0.44) PDK2CNR2CNR1ALOX5RXRA
SCHEMBL16017838 0.89 PDK2 (0.44) PDK2CNR2CNR1ALOX5RXRA
SCHEMBL16022407 0.87 PDK2 (0.37) PDK2CNR2CNR1ALOX5MPL
SCHEMBL16022369 0.87 PDK2 (0.37) PDK2CNR2CNR1ALOX5MPL
SCHEMBL16017839 0.85 PDK2 (0.40) PDK2CNR2ACVRL1MPLRARB
SCHEMBL12934280 0.83 PDK2 (0.50) PDK2CNR2CNR1RXRARXRB
SCHEMBL16022433 0.80 PDK2 (0.41) PDK2CNR2CNR1MPLRXRA
SCHEMBL429096 0.79 PDK2 (0.46) PDK2ALOX5
SCHEMBL430248 0.79 PDK2 (0.46) PDK2ALOX5

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-9316931-B2 Electrophotographic photosensitive member, electrophotographic apparatus, process cartridge, and condensed polycyclic aromatic compound CANON KABUSHIKI KAISHA (JP) 2016-04-19 US disclosed
US-20140255836-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, AND ELECTROPHOTOGRAPHIC APPARATUS AND PROCESS CARTRIDGE EACH INCLUDING THE ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER CANON KABUSHIKI KAISHA (JP) 2014-09-11 US disclosed