SCHEMBL20762866

SCHEMBL20762866

C=CC(=O)OCCCc1ccc(-c2cc(-c3ccc(-c4cc(CCOC(=O)C=C)cc(CCOC(=O)C=C)c4)cc3)c(C(F)(F)F)cc2C(F)(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ THRB P10828 3/20 0.34
▸ KIF11 P52732 1/20 0.33
▸ AKR1B10 O60218 3/20 0.32
▸ AKR1B1 P15121 3/20 0.32
▸ MET P08581 3/20 0.32
▸ RXRA P19793 2/20 0.32
▸ RXRB P28702 2/20 0.32
▸ RXRG P48443 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA6 P23280 1/20 0.32
▸ CA5A P35218 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 1/20 0.32

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
SCHEMBL20763167 0.95 TSHR (0.35) TSHRALDH1A1CYP3A4THRBKIF11
SCHEMBL20762850 0.92 TSHR (0.40) TSHRALDH1A1CYP3A4THRBKIF11
SCHEMBL20762680 0.84 TSHR (0.41) TSHRALDH1A1CYP3A4THRBKIF11
SCHEMBL20763225 0.84 THRB (0.39) TSHRALDH1A1CYP3A4THRBAKR1B10
SCHEMBL20763399 0.83 TSHR (0.40) TSHRALDH1A1CYP3A4THRBKIF11
SCHEMBL20762716 0.82 FFAR4 (0.43) CYP3A4THRBS1PR1
SCHEMBL20763163 0.81 RXRA (0.38) TSHRALDH1A1THRBKIF11AKR1B10
SCHEMBL20762854 0.81 FFAR4 (0.43) CYP3A4THRBS1PR1
SCHEMBL19730203 0.81 TSHR (0.41) TSHRALDH1A1CYP3A4THRBAKR1B10
SCHEMBL19738284 0.79 MET (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190056676-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, AND ELECTROPHOTOGRAPHIC APPARATUS AND PROCESS CARTRIDGE EACH INCLUDING THE ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER CANON KABUSHIKI KAISHA (JP) 2019-02-21 — — US disclosed
Send feedback