SCHEMBL16017969

SCHEMBL16017969

OCC1(CO)c2cc(-c3ccc4c5c(cccc35)-c3ccccc3-4)ccc2-c2ccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 13/20 0.42
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HKDC1 Q2TB90 1/20 0.34
▸ PABPC1 P11940 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ ACMSD Q8TDX5 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
SCHEMBL16022399 0.89 PDK2 (0.37) PDK2CRHBPCRHR2KEAP1NFE2L2
SCHEMBL16025184 0.87 PDK2 (0.39) PDK2CRHBPCRHR2KEAP1NFE2L2
SCHEMBL16022378 0.87 PDK2 (0.38) PDK2CRHBPCRHR2KEAP1NFE2L2
SCHEMBL16022413 0.83 PDK2 (0.33) PDK2CRHBPCRHR2KEAP1NFE2L2
SCHEMBL16025203 0.83 PDK2 (0.44) PDK2
SCHEMBL29812909 0.80 PDK2 (0.46) PDK2ALDH1A1HPGDHSD17B10
SCHEMBL16022417 0.80 PDK2 (0.41) PDK2CRHBPCRHR2KEAP1NFE2L2
SCHEMBL16017919 0.80 PDK2 (0.46) PDK2
SCHEMBL16025205 0.79 PDK2 (0.36) PDK2
SCHEMBL16025196 0.79 PDK2 (0.49) 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-9389523-B2 Electrophotographic photosensitive member, and electrophotographic apparatus and process cartridge each including the electrophotographic photosensitive member CANON KABUSHIKI KAISHA (JP) 2016-07-12 — — US disclosed
US-20140255837-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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