SCHEMBL16025161

SCHEMBL16025161

CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCCO)(CCCO)c3cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)ccc3-4)cc21

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 18/20 0.36
▸ CRHBP P24387 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ KEAP1 Q14145 1/20 0.32
▸ NFE2L2 Q16236 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
SCHEMBL16025158 0.98 PDK2 (0.36) PDK2CRHBPCRHR2KEAP1NFE2L2
SCHEMBL16022413 0.93 PDK2 (0.33) PDK2CRHBPCRHR2KEAP1NFE2L2
SCHEMBL16025162 0.91 PDK2 (0.38) PDK2
SCHEMBL16025159 0.90 PDK2 (0.32) PDK2
SCHEMBL16022378 0.86 PDK2 (0.38) PDK2CRHBPCRHR2KEAP1NFE2L2
SCHEMBL16022399 0.86 PDK2 (0.37) PDK2CRHBPCRHR2KEAP1NFE2L2
SCHEMBL16025180 0.86 PDK2 (0.40) PDK2
SCHEMBL16025228 0.86 PDK2 (0.40) PDK2
SCHEMBL16025184 0.84 PDK2 (0.39) PDK2CRHBPCRHR2KEAP1NFE2L2
SCHEMBL16025233 0.84 PDK2 (0.32) PDK2CRHBPCRHR2KEAP1NFE2L2

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
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