SCHEMBL18752038

SCHEMBL18752038

CC1(C)c2cc(CCc3cc(CO)c(O)c(CO)c3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C(F)(F)F)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(Cc7cc(CO)c(O)c(CO)c7)ccc5-6)ccc3-4)cc21

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 10/20 0.38
▸ SHBG P04278 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
SCHEMBL18769251 0.96 PDK2 (0.41) PDK2
SCHEMBL16017888 0.91 SHBG (0.40) PDK2SHBG
SCHEMBL16017999 0.91 SHBG (0.40) PDK2SHBG
SCHEMBL18769250 0.91 PDK2 (0.38) PDK2
SCHEMBL17427322 0.87 PDK2 (0.36) PDK2SHBG
SCHEMBL17427311 0.87 PDK2 (0.36) PDK2SHBG
SCHEMBL16020448 0.81 BACE1 (0.36) PDK2SHBG
SCHEMBL16020484 0.81 BACE1 (0.36) PDK2SHBG
SCHEMBL17577179 0.80 SHBG (0.38) PDK2SHBG
SCHEMBL17427333 0.78 SHBG (0.33) SHBG

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-9946175-B2 Electrophotographic photosensitive member, process cartridge, electrophotographic apparatus, and condensed polycyclic aromatic compound CANON KABUSHIKI KAISHA (JP) 2018-04-17 — — US disclosed
US-20170108789-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, ELECTROPHOTOGRAPHIC APPARATUS, AND CONDENSED POLYCYCLIC AROMATIC COMPOUND CANON KABUSHIKI KAISHA (JP) 2017-04-20 — — US disclosed
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