SCHEMBL17577169

SCHEMBL17577169

C=C(C)C(=O)OCCCc1ccc(-c2cc(CCCCCCCCCCCC)c3ccc4c(-c5ccc(COC(=O)C(=C)C)cc5)cc(-c5ccc(COC(=O)C(=C)C)cc5)c5ccc2c3c45)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
RARB P10826 10/20 0.38
RARA P10276 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
MTOR P42345 1/20 0.36
KMT2A Q03164 1/20 0.36
RARG P13631 1/20 0.35
ABCB1 P08183 1/20 0.34
ESR1 P03372 2/20 0.33
ADRA2A P08913 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
TACR2 P21452 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
SMPD1 P17405 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
SCHEMBL17577168 0.93 TSHR (0.49) TSHRTHRATHRBRARBRARA
SCHEMBL17578320 0.90 TSHR (0.40) TSHRTHRATHRBRARBRARA
SCHEMBL17577132 0.85 THRB (0.44) TSHRTHRATHRBRARBRARA
SCHEMBL17577140 0.85 THRB (0.44) TSHRTHRATHRBRARBRARA
SCHEMBL17577133 0.82 POLB (0.36) TSHRTHRATHRBRARB
SCHEMBL17577136 0.80 RXRA (0.33) TSHR
SCHEMBL17578319 0.79 THRB (0.43) TSHRTHRATHRBRARBRARA
SCHEMBL3176037 0.78 THRB (0.61) TSHRTHRATHRBRARBRARA
SCHEMBL3176142 0.78 THRB (0.61) TSHRTHRATHRBRARBRARA
SCHEMBL3178741 0.78 THRB (0.61) TSHRTHRATHRBRARBRARA

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