SCHEMBL8965814

SCHEMBL8965814

C=C(C)C(=O)OCCC(C)C(O)OC(=O)C(=C)C

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
THRB P10828 1/20 0.44
ALDH1A1 P00352 2/20 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
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
SCHEMBL8965966 0.82 TSHR (0.60) TSHRTHRBALDH1A1
SCHEMBL23494141 0.82 TSHR (0.53) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL24963 0.80 TSHR (0.52) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL4900588 0.80 THRB (0.48) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL12705837 0.80 TSHR (0.53) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL65233 0.80 TSHR (0.55) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL8965548 0.79 TSHR (0.47) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL35900 0.79 TSHR (0.43) TSHRTHRBALDH1A1
SCHEMBL4593744 0.79 THRB (0.52) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL11531920 0.79 THRB (0.52) 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