SCHEMBL21264040

SCHEMBL21264040

C=C(C)C(=O)OCCOCCOCCOC(O)C(=C)C

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.58
TSHR P16473 6/20 0.43
ALDH1A1 P00352 5/20 0.35
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL9908929 0.95 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13408624 0.84 THRB (0.44) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL700642 0.83 THRB (0.79) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL672102 0.83 THRB (0.79) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL2367616 0.83 THRB (0.79) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL4950550 0.83 THRB (0.79) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL7157722 0.83 THRB (0.79) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL22166147 0.83 THRB (0.79) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9314009 0.83 THRB (0.79) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9485961 0.83 THRB (0.79) 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
US-20190248942-A1 MATERIAL NON-ADHESIVE TO BIOLOGICAL SUBSTANCE, CURABLE COMPOSITION, AND ARTIFICIAL ORGAN AND MEDICAL INSTRUMENT USING SAME FUJIFILM CORPORATION (JP) 2019-08-15 US disclosed