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Sugi Predict / Compounds / SCHEMBL10057972

SCHEMBL10057972

SCHEMBL10057972

CC1(C)c2ccccc2-c2cccc(-c3ccc4c(c3)C3(c5cc(-c6cccc7c6C(C)(C)c6ccccc6-7)ccc5C4=O)c4ccccc4-c4ccccc43)c21

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 10/20 0.36
▸ GRK6 P43250 1/20 0.35
▸ PGR P06401 5/20 0.35
▸ RARB P10826 1/20 0.35
▸ RARG P13631 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ ELANE P08246 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
SCHEMBL10057539 0.96 PTPRC (0.36) PDK2GRK6PGRRARBRARG
SCHEMBL30345763 0.93 PDK2 (0.40) PDK2RARBRARGRXRA
SCHEMBL5459081 0.93 PDK2 (0.40) PDK2RARBRARGRXRA
SCHEMBL10057962 0.90 PTPRC (0.36) PDK2PGRRARBRARGRXRA
SCHEMBL10057973 0.84 NPC1 (0.39) PDK2PGRELANE
SCHEMBL10057545 0.83 MEN1 (0.38) PDK2PGR
SCHEMBL10045894 0.80 TDP1 (0.44) PGRRARBRARGRXRA
SCHEMBL14702110 0.80 PDK2 (0.42) PDK2PGRELANE
SCHEMBL17102126 0.80 PDK2 (0.42) PDK2
SCHEMBL31409760 0.80 PDK2 (0.42) 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
US-20130105786-A1 NOVEL SPIRO(ANTHRACENE-9,9'-FLUOREN)-10-ONE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-05-02 — — US disclosed
WO-2012008557-A1 NOVEL SPIRO (ANTHRACENE-9,9'-FLUOREN) -10-ONE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-01-19 — — WO disclosed
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