SCHEMBL8965485

SCHEMBL8965485

C=C(C)C(=O)OCCC(C)(C)CCOC(=O)C(=C)C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.53
TSHR P16473 3/20 0.52
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
GAA P10253 1/20 0.31
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL23494244 0.92 TSHR (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL8966019 0.90 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL3799575 0.88 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL438464 0.87 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL665126 0.85 TSHR (0.52) THRBTSHRALDH1A1POLBAPEX1
Fluoride SCHEMBL28255974 0.85 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL22686158 0.85 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL3688925 0.85 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL18051644 0.85 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL26002227 0.84 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1

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