SCHEMBL13324397

SCHEMBL13324397

CC1(C)c2cc(C(F)(F)F)ccc2-c2ccc3c4c(ccc1c24)-c1ccccc1-3

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.41
PDK2 Q15119 15/20 0.35
TDP2 O95551 1/20 0.34
HSD11B1 P28845 1/20 0.34
ESR1 P03372 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
AR P10275 1/20 0.33
ESR2 Q92731 1/20 0.33
KIF11 P52732 1/20 0.33

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
SCHEMBL15947786 0.82 TDP2 (0.34) GPR3TDP2
SCHEMBL13324392 0.80 PDK2 (0.45) GPR3PDK2PGR
SCHEMBL15945815 0.76 PDK2 (0.37) PDK2TDP2KIF11
SCHEMBL13324386 0.74 PDK2 (0.49) GPR3PDK2PGR
SCHEMBL14355067 0.73 PDK2 (0.38) PDK2
SCHEMBL20779077 0.73 PARP1 (0.40) GPR3TDP2KIF11
SCHEMBL13324390 0.72 NPC1 (0.38) PDK2
SCHEMBL10025091 0.72 PDK2 (0.47) PDK2AR
SCHEMBL13324381 0.72 PDK2 (0.38) PDK2
SCHEMBL23625524 0.71 PDK2 (0.51) GPR3PDK2TDP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709832-B2 Organic compound and organic light-emitting element CANON KABUSHIKI KAISHA (JP) 2010-05-04 US disclosed
US-7709832-B2 Organic compound and organic light-emitting element CANON KABUSHIKI KAISHA (JP) 2010-05-04 US disclosed
US-20070252141-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CANON KABUSHIKI KAISHA (JP) 2007-11-01 US disclosed
US-20070252141-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CANON KABUSHIKI KAISHA (JP) 2007-11-01 US disclosed