SCHEMBL28053779

SCHEMBL28053779

C=COCCOC(C)CCOC(=O)C(=C)C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
THRB P10828 1/20 0.40
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALOX15 P16050 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
SCHEMBL11316910 0.86 TSHR (0.56) TSHRTHRBALDH1A1
SCHEMBL16584542 0.83 TSHR (0.47) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL12804255 0.82 TSHR (0.51) TSHRTHRBALDH1A1
SCHEMBL2880688 0.82 THRB (0.57) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL125047 0.82 THRB (0.57) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL7640083 0.81 TSHR (0.44) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL2689412 0.81 TSHR (0.47) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL2690731 0.81 TSHR (0.39) TSHRTHRBALDH1A1
SCHEMBL16584655 0.81 TSHR (0.45) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL16584704 0.80 TSHR (0.56) TSHRTHRBALDH1A1

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-102529351-B Recording method and the light curable type ink group for this recording method SEIKO EPSON CORP. (JP) 2016-02-10 CN disclosed