SCHEMBL3100741

SCHEMBL3100741

C=CC(=O)OCCOc1ccc(Sc2ccc(OCCOC(=O)C=C)c(Br)c2)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
TSHR P16473 5/20 0.40
ALDH1A1 P00352 5/20 0.40
TP53 P04637 2/20 0.40
HIF1A Q16665 2/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 4/20 0.39
CYP3A4 P08684 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
PKM P14618 1/20 0.35
F2 P00734 1/20 0.35
PLAU P00749 1/20 0.35
ST14 Q9Y5Y6 1/20 0.35
HPGD P15428 1/20 0.34
LMNA P02545 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
SCHEMBL446746 0.85 THRB (0.51) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL29904785 0.85 THRB (0.51) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL3102174 0.84 THRB (0.48) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL39801 0.82 KDM4E (0.56) THRBTSHRALDH1A1KDM4ENPC1
SCHEMBL11182674 0.79 THRB (0.46) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL447319 0.79 THRB (0.62) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL3102899 0.78 THRB (0.71) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL14173241 0.78 THRB (0.71) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL15169906 0.77 THRB (0.49) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL10885708 0.77 THRB (0.53) THRBTSHRALDH1A1TP53HIF1A

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-7799844-B2 Active energy beam-curable composition for optical material TOAGOSEI CO., LTD. (JP) 2010-09-21 US disclosed
US-20070043143-A1 Active energy beam-curable composition for optical material THOMSON LICENSING (FR) 2007-02-22 US disclosed