SCHEMBL17577141

SCHEMBL17577141

C=CC(=O)OCCCCCc1ccc(-c2cc(-c3ccc(CCCCCOC(=O)C=C)cc3)c3ccc4c(-c5ccc(COC(=O)C=C)cc5)cc(-c5ccc(COC(=O)C=C)cc5)c5ccc2c3c54)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 1/20 0.43
THRB P10828 5/20 0.39
RARB P10826 2/20 0.35
HPGD P15428 1/20 0.35
THRA P10827 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AKR1B10 O60218 3/20 0.34
AKR1B1 P15121 3/20 0.34
MET P08581 2/20 0.34
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 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
SCHEMBL17577137 0.89 THRB (0.36) TSHRALDH1A1CYP3A4THRBRARB
SCHEMBL17577132 0.88 THRB (0.44) TSHRALDH1A1THRBRARBHPGD
SCHEMBL17577140 0.88 THRB (0.44) TSHRALDH1A1THRBRARBHPGD
SCHEMBL17577193 0.88 TSHR (0.42) TSHRALDH1A1CYP3A4THRBRARB
SCHEMBL14028722 0.87 TSHR (0.54) TSHRALDH1A1CYP3A4THRBRARB
SCHEMBL17578321 0.85 THRB (0.40) TSHRALDH1A1CYP3A4THRBRARB
SCHEMBL17577139 0.85 THRB (0.33) TSHRALDH1A1CYP3A4THRB
SCHEMBL17577123 0.84 THRB (0.35) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL19730216 0.82 ALDH1A1 (0.46) TSHRALDH1A1CYP3A4THRBAKR1B10
SCHEMBL19730228 0.82 ALDH1A1 (0.46) TSHRALDH1A1CYP3A4THRBAKR1B10

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