SCHEMBL28259134

SCHEMBL28259134

C=CC(=O)OCC=CC([O])=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.45
ALDH1A1 P00352 4/20 0.45
TP53 P04637 3/20 0.45
HIF1A Q16665 3/20 0.45
CYP3A4 P08684 2/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
THRB P10828 2/20 0.34
APP P05067 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
SCHEMBL29417881 0.84 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL19620226 0.84 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL19846628 0.84 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL931344 0.83 TSHR (0.45) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL21331452 0.78 MAPT (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL10608809 0.77
SCHEMBL29156 0.77
SCHEMBL237830 0.76
SCHEMBL11033706 0.76
SCHEMBL21618438 0.76

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-104892944-B A kind of preparation method of (methyl) acryloyloxymethyl terminated polysiloxane 山东大学 2018-12-18 CN disclosed