SCHEMBL1835880

SCHEMBL1835880

C=C(C)C(=O)OCCOCCOCCOCCOCC(COC(=O)C(=C)C)OC(=O)C(=C)C

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.54
TSHR P16473 6/20 0.49
ALDH1A1 P00352 6/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 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
SCHEMBL28532325 0.88 TSHR (0.58) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL31591533 0.87 THRB (0.59) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL5082921 0.87 THRB (0.54) THRBTSHRALDH1A1
SCHEMBL16803283 0.86 TSHR (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL35507 0.86 TSHR (0.63) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13641684 0.86 TSHR (0.51) THRBTSHRALDH1A1LMNA
SCHEMBL13572182 0.84 TSHR (0.58) THRBTSHRALDH1A1LMNA
SCHEMBL19197311 0.83 TSHR (0.57) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL12808955 0.83 TSHR (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL16803284 0.82 TSHR (0.63) THRBTSHRALDH1A1POLBAPEX1

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
EP-1834975-B1 Thermosetting poly(phenylene ether) SABIC INNOVATIVE PLASTICS IP (NL) 2011-05-11 EP claimed