SCHEMBL21760324

SCHEMBL21760324

C=C(C)C(=O)CCCCOC(=O)C(=C)C

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.63
THRB P10828 1/20 0.50
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 5/20 0.39
CES2 O00748 4/20 0.33
CES1 P23141 4/20 0.33
CYP3A4 P08684 1/20 0.33
FAAH O00519 2/20 0.32
NAAA Q02083 1/20 0.31
DGKA P23743 1/20 0.31

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
SCHEMBL26800728 0.98 TSHR (0.67) TSHRTHRBPOLBAPEX1HTT
SCHEMBL13250071 0.94 TSHR (0.60) TSHRTHRBPOLBAPEX1HTT
SCHEMBL12938689 0.88 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5144090 0.87 TSHR (0.79) TSHRTHRBPOLBAPEX1HTT
SCHEMBL25426 0.87 TSHR (0.79) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5982433 0.86 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL22440464 0.86 TSHR (0.66) TSHRTHRBPOLBAPEX1HTT
SCHEMBL9580313 0.86 TSHR (0.66) TSHRTHRBPOLBAPEX1HTT
SCHEMBL6695792 0.85 THRB (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL22554429 0.85 TSHR (0.83) TSHRTHRBPOLBAPEX1HTT

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
WO-2020040507-A1 QUANTUM DOT NANOCAPSULE AND METHOD FOR PREPARING SAME 고려대학교 세종산학협력단 2020-02-27 WO disclosed