SCHEMBL17703263

SCHEMBL17703263

C=C(C)C(=O)OCCn1c(=O)n(CCOC(=O)C(C)C)c(=O)n(CCOC(=O)C(C)C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
THRB P10828 1/20 0.41
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 2/20 0.33
ADORA2B P29275 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTGS2 P35354 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL23004645 1.00 TSHR (0.43) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL150780 0.90 THRB (0.48) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL24380164 0.90 TSHR (0.47) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL22475337 0.86 TSHR (0.43) TSHRTHRBALDH1A1TDP1PTGS2
SCHEMBL248011 0.84 THRB (0.43) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL21657670 0.84 THRB (0.43) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL56973 0.84 THRB (0.43) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL16009520 0.84 THRB (0.43) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL23810922 0.82 TSHR (0.39) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL2608171 0.81 THRB (0.59) TSHRTHRBALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9568822-B2 Lithographic printing plate precursor AGFA GRAPHICS NV (BE) 2017-02-14 US disclosed
US-9568822-B2 Lithographic printing plate precursor AGFA GRAPHICS NV (BE) 2017-02-14 US disclosed
US-20160116841-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR ECO3 BV (BE) 2016-04-28 US disclosed
US-20160116841-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR ECO3 BV (BE) 2016-04-28 US disclosed