SCHEMBL14088488

SCHEMBL14088488

C=CC(=O)OCCCCOc1ccc(OCCCCOC(=O)C=C)c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.53
ALDH1A1 P00352 5/20 0.53
CYP3A4 P08684 2/20 0.53
THRB P10828 3/20 0.45
HPGD P15428 1/20 0.45
TP53 P04637 3/20 0.41
HIF1A Q16665 3/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PPARA Q07869 1/20 0.33
THRA P10827 1/20 0.33
PLA2G2D Q9UNK4 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
SCHEMBL14088580 0.88 THRB (0.48) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL14088510 0.88 TSHR (0.44) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL14088581 0.87 THRB (0.47) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL14588353 0.86 THRB (0.46) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL14088587 0.86 TSHR (0.39) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL13123109 0.86 THRB (0.43) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL14088578 0.85 THRB (0.45) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL13107451 0.85 HTT (0.43) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL13107466 0.85 THRB (0.42) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL13107458 0.84 TSHR (0.40) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7410677-B2 Organosilicon compound-containing polymerizable liquid-crystal composition CHISSO CORPORATION (JP) 2008-08-12 US disclosed
US-7410677-B2 Organosilicon compound-containing polymerizable liquid-crystal composition CHISSO CORPORATION (JP) 2008-08-12 US disclosed
US-7157124-B2 Polymerizable compounds and their polymers CHISSO PETROCHEMICAL CORPORATION (JP) 2007-01-02 US disclosed
US-7157124-B2 Polymerizable compounds and their polymers CHISSO PETROCHEMICAL CORPORATION (JP) 2007-01-02 US disclosed