SCHEMBL5428158

SCHEMBL5428158

C=C(C)C(=O)OCC(O)C(=O)OC(=O)C(=C)C

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
THRB P10828 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL15877778 0.83 TSHR (0.63) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL9511437 0.83 TSHR (0.63) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL27119 0.82 TSHR (0.45) TSHRTHRBALDH1A1TDP1HSD17B10
SCHEMBL28568115 0.82 TSHR (0.61) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL6676860 0.82 TSHR (0.61) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL9761820 0.82 TSHR (0.45) TSHRTHRBALDH1A1TDP1HSD17B10
SCHEMBL289812 0.80 TSHR (0.59) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL28052593 0.80 TSHR (0.44) TSHRTHRBALDH1A1TDP1HSD17B10
SCHEMBL28089572 0.80 TSHR (0.64) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL631029 0.79 TSHR (0.68) TSHRTHRBALDH1A1TDP1POLB

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-20070148596-A1 Hardcoat agent composition and optical information medium thereof TDK CORPORATION (JP) 2007-06-28 US disclosed