SCHEMBL17577179

SCHEMBL17577179

CC1(C)c2cc(-c3ccc(CCCc4cc(CO)c(O)c(CO)c4)cc3)ccc2-c2ccc(-c3ccc(Cc4cc(CO)c(O)c(CO)c4)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 1/20 0.38
▸ PDK2 Q15119 2/20 0.35
▸ RARA P10276 1/20 0.32
▸ RARB P10826 1/20 0.32
▸ RARG P13631 1/20 0.32
▸ MPL P40238 1/20 0.32
▸ CYP17A1 P05093 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ CYP11B1 P15538 2/20 0.31
▸ CYP11B2 P19099 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ CASP6 P55212 1/20 0.31
▸ CNR2 P34972 1/20 0.30
▸ CYP19A1 P11511 1/20 0.30
▸ RXRA P19793 1/20 0.30
▸ RXRB P28702 1/20 0.30
▸ RXRG P48443 1/20 0.30

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
SCHEMBL16017999 0.88 SHBG (0.40) SHBGPDK2RARARARBRARG
SCHEMBL16017888 0.88 SHBG (0.40) SHBGPDK2RARARARBRARG
SCHEMBL17578348 0.86 PDK2 (0.33) PDK2
SCHEMBL17427322 0.85 PDK2 (0.36) SHBGPDK2RARARARBRARG
SCHEMBL17427311 0.85 PDK2 (0.36) SHBGPDK2RARARARBRARG
SCHEMBL17427333 0.84 SHBG (0.33) SHBGMPL
SCHEMBL16017902 0.81 SHBG (0.33) SHBG
SCHEMBL18752038 0.80 PDK2 (0.38) SHBGPDK2
SCHEMBL16020484 0.80 BACE1 (0.36) SHBGPDK2RARARARBRARG
SCHEMBL16020448 0.80 BACE1 (0.36) SHBGPDK2RARARARBRARG

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-9594318-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2017-03-14 — — US disclosed
US-20160070184-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2016-03-10 — — US disclosed
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