SCHEMBL13801183

SCHEMBL13801183

C=CC(=O)OCC(CC)(COC(=O)C=C)COC(=O)CCC

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.57
ALDH1A1 P00352 5/20 0.53
TP53 P04637 3/20 0.53
HIF1A Q16665 3/20 0.53
CYP3A4 P08684 2/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TSHR P16473 8/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.36
DGKA P23743 1/20 0.31
MAPT P10636 1/20 0.30
THRA P10827 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
SCHEMBL17922219 0.93 ALDH1A1 (0.56) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL14015781 0.90 THRB (0.57) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL27055881 0.89 THRB (0.55) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL27055871 0.89 THRB (0.55) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL27055888 0.89 THRB (0.55) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL13917109 0.89 THRB (0.55) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL27055864 0.89 THRB (0.55) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL27055873 0.89 THRB (0.55) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL6742403 0.89 THRB (0.64) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL17922218 0.89 ALDH1A1 (0.71) THRBALDH1A1TP53HIF1ACYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017195428-A1 NOVEL COMPOUND, PHOTOCURABLE COMPOSITION, CURED PRODUCT THEREOF, PRINTING INK, AND PRINTED MATTER USING PRINTING INK DIC株式会社 2017-11-16 WO disclosed
US-8653214-B2 Silicone (meth)acrylate particles, process for preparation thereof and use thereof EVONIK GOLDSCHMIDT GMBH (DE) 2014-02-18 US disclosed
US-20090149573-A1 SILICONE (METH)ACRYLATE PARTICLES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF EVONIK GOLDSCHMIDT GMBH (DE) 2009-06-11 US disclosed