SCHEMBL14391341

SCHEMBL14391341

CCC1(CO)c2ccccc2-c2ccc(C)cc21

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 16/20 0.50
▸ ELANE P08246 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ PGR P06401 1/20 0.34

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
SCHEMBL28348636 0.86 APEX1 (0.46) PDK2ELANEAPEX1ESR1ESR2
SCHEMBL22373058 0.82 PDK2 (0.44) PDK2ELANE
SCHEMBL19153156 0.77 PDK2 (0.43) PDK2ESR1ESR2
SCHEMBL15732926 0.75 PDK2 (0.47) PDK2ELANEAPEX1
SCHEMBL12701317 0.75 PDK2 (0.47) PDK2ELANEAPEX1ESR1ESR2
SCHEMBL23021642 0.75 PDK2 (0.44) PDK2ELANEAPEX1
SCHEMBL18052350 0.75 PDK2 (0.38) PDK2ELANEAPEX1PGR
SCHEMBL13622053 0.75 PDK2 (0.38) PDK2ELANEAPEX1PGR
SCHEMBL18386012 0.75 APEX1 (0.46) PDK2APEX1
SCHEMBL1271141 0.75 APEX1 (0.41) PDK2ELANEAPEX1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007123259-A1 ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2007-11-01 — — WO disclosed
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