SCHEMBL28619494

SCHEMBL28619494

C=C(Cl)CCOC(=O)C(=C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

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
EPHX1 P07099 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MAPT P10636 1/20 0.30
BLM P54132 1/20 0.30
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
SCHEMBL2059820 0.87 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9312977 0.86 THRB (0.57) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28572860 0.86 TSHR (0.61) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9216860 0.83 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL2453478 0.82 THRB (0.57) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL587661 0.82 THRB (0.57) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10426403 0.82 THRB (0.57) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28387034 0.82 THRB (0.36) THRBTSHR
SCHEMBL6142874 0.81 THRB (0.74) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL15636 0.81 THRB (0.74) 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
CN-111276738-B Asymmetric solid electrolyte, preparation method thereof and application thereof in high-voltage solid-state battery 中国科学院化学研究所 2021-08-31 CN claimed