SCHEMBL9218062

SCHEMBL9218062

C=C(C)C(=O)OCCSCCCCCCCCCCC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
THRB P10828 1/20 0.36
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
EPHX2 P34913 1/20 0.33
DGKA P23743 1/20 0.32
HDAC8 Q9BY41 2/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL9218134 1.00 TSHR (0.42) TSHRTHRBPOLBAPEX1HTT
SCHEMBL9220357 0.99 TSHR (0.40) TSHRTHRBPOLBAPEX1HTT
SCHEMBL9224883 0.89 THRB (0.40) TSHRTHRBPOLBAPEX1HTT
SCHEMBL9222880 0.87 EPHX2 (0.33) EPHX2DGKAHDAC8HDAC3HDAC1
SCHEMBL2608203 0.86 TSHR (0.57) TSHRTHRBPOLBAPEX1HTT
SCHEMBL9073493 0.86 TSHR (0.57) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2608180 0.84 TSHR (0.54) TSHRTHRBPOLBAPEX1HTT
SCHEMBL29940900 0.84 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL10427136 0.82 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL9073332 0.81 TSHR (0.47) TSHRTHRBPOLBAPEX1HTT

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-5457172-A An alkoxycarbonylalkylthio(or sulfone or sulfoxide) alkyl acrylate monomer; homo- and copolymers; molding materials; castings; binders; coating vehicles ELF ATOCHEM S.A. (FR) 1995-10-10 US claimed