SCHEMBL16017999

SCHEMBL16017999

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

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 1/20 0.40
▸ PDK2 Q15119 4/20 0.34
▸ RARA P10276 1/20 0.31
▸ RARB P10826 1/20 0.31
▸ RARG P13631 1/20 0.31

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
SCHEMBL16017888 1.00 SHBG (0.40) SHBGPDK2RARARARBRARG
SCHEMBL17427311 0.95 PDK2 (0.36) SHBGPDK2RARARARBRARG
SCHEMBL17427322 0.95 PDK2 (0.36) SHBGPDK2RARARARBRARG
SCHEMBL18752038 0.91 PDK2 (0.38) SHBGPDK2
SCHEMBL16020484 0.89 BACE1 (0.36) SHBGPDK2RARARARBRARG
SCHEMBL16020448 0.89 BACE1 (0.36) SHBGPDK2RARARARBRARG
SCHEMBL17577179 0.88 SHBG (0.38) SHBGPDK2RARARARBRARG
SCHEMBL17427333 0.86 SHBG (0.33) SHBG
SCHEMBL18769251 0.86 PDK2 (0.41) PDK2
SCHEMBL17913980 0.82 MPL (0.32) 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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