SCHEMBL8966053

SCHEMBL8966053

C=C(C)C(=O)OCC(C)C(O)COC(=O)C(=C)C

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.64
THRB P10828 1/20 0.41
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL6671428 0.89 TSHR (0.60) TSHRTHRBALDH1A1
SCHEMBL10399685 0.89 TSHR (0.60) TSHRTHRBALDH1A1
SCHEMBL11304474 0.89 TSHR (0.60) TSHRTHRBALDH1A1
SCHEMBL20854815 0.87 TSHR (0.68) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL8966000 0.87 TSHR (0.75) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL2585229 0.87 TSHR (0.68) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL1372597 0.86 TSHR (0.67) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL538796 0.86 TSHR (0.67) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL2981728 0.84 TSHR (0.64) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL3503123 0.83 TSHR (0.63) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5547762-A THERMOSETTING RESIN LAYER BRIDGESTONE CORPORATION (JP) 1996-08-20 US disclosed