SCHEMBL20762850

SCHEMBL20762850

C=CC(=O)OCCCc1ccc(-c2cc(-c3ccc(CCCOC(=O)C=C)cc3)c(C(F)(F)F)cc2C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ THRB P10828 3/20 0.39
▸ HPGD P15428 1/20 0.37
▸ TP53 P04637 2/20 0.36
▸ HIF1A Q16665 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ AKR1B10 O60218 3/20 0.36
▸ AKR1B1 P15121 3/20 0.36
▸ MET P08581 2/20 0.36
▸ S1PR1 P21453 1/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ SLC13A5 Q86YT5 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.34
▸ NAAA Q02083 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 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
SCHEMBL20763167 0.93 TSHR (0.35) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL20762866 0.92 TSHR (0.34) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL20762680 0.91 TSHR (0.41) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL20763225 0.91 THRB (0.39) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL20763399 0.90 TSHR (0.40) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL20762716 0.89 FFAR4 (0.43) CYP3A4THRBS1PR1FFAR4
SCHEMBL20762854 0.88 FFAR4 (0.43) CYP3A4THRBS1PR1FFAR4
SCHEMBL20762909 0.85 RXRA (0.39) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL20762852 0.84 THRB (0.38) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL20762835 0.82 PSEN1 (0.43) TSHRALDH1A1CYP3A4THRBHPGD

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
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