SCHEMBL28686222

SCHEMBL28686222

C=CC(=O)OC(CC)(OC(C)C)OC(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.41
THRB P10828 2/20 0.38
HPGD P15428 1/20 0.36
ALDH1A1 P00352 5/20 0.32
TP53 P04637 3/20 0.32
HIF1A Q16665 3/20 0.32
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL1706295 0.84 THRB (0.44) TSHRTHRBHPGDALDH1A1TP53
SCHEMBL28690747 0.79 THRB (0.41) TSHRTHRBHPGDALDH1A1TP53
SCHEMBL4904711 0.77 THRB (0.40) TSHRTHRBHPGDALDH1A1TP53
SCHEMBL23494133 0.76 TSHR (0.47) TSHRTHRBHPGDALDH1A1TP53
SCHEMBL10430077 0.76 THRB (0.39) TSHRTHRBHPGDALDH1A1TP53
SCHEMBL1108008 0.74 TSHR (0.43) TSHRTHRBHPGDALDH1A1TP53
SCHEMBL16139527 0.73 TSHR (0.44) TSHRTHRBHPGDALDH1A1TP53
SCHEMBL10783552 0.73 THRB (0.37) TSHRTHRBHPGDALDH1A1TP53
SCHEMBL10616575 0.73 THRB (0.37) TSHRTHRBHPGDALDH1A1TP53
SCHEMBL5271167 0.72 TSHR (0.45) TSHRTHRBHPGDALDH1A1TP53

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
CN-113939544-A Non-core-shell polymer particles 悉尼大学 2022-01-14 CN disclosed