SCHEMBL28274656

SCHEMBL28274656

COC(=O)CCC(Br)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ZDHHC7 Q9NXF8 1/20 0.40
CA12 O43570 4/20 0.37
CA14 Q9ULX7 4/20 0.37
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
SLC1A1 P43005 1/20 0.37
DGAT1 O75907 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
RECQL P46063 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CTSK P43235 2/20 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
SCHEMBL23552908 0.89 HDAC3 (0.35) ZDHHC7KMT2AMEN1GAA
SCHEMBL23552907 0.89 HDAC3 (0.35) ZDHHC7KMT2AMEN1GAA
SCHEMBL17754726 0.86 ZDHHC7 (0.47) TSHRZDHHC7CA12CA14CA2
SCHEMBL868172 0.83 ZDHHC7 (0.55) TSHRZDHHC7CA12CA14CA2
SCHEMBL12358675 0.83 ZDHHC7 (0.55) TSHRZDHHC7CA12CA14CA2
SCHEMBL29589922 0.83 ZDHHC7 (0.55) TSHRZDHHC7CA12CA14CA2
SCHEMBL8785206 0.82 ZDHHC7 (0.39) ZDHHC7CA12CA14CA2CA1
SCHEMBL9101944 0.81 GABRP (0.38) TSHRZDHHC7SLC1A1KMT2AMEN1
SCHEMBL13613730 0.80 TSHR (0.43) TSHRCA12CA14CA2CA1
SCHEMBL19691931 0.80 TSHR (0.43) TSHRCA12CA14CA2CA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109438267-B Bifunctional complexing agent containing tetraphenylethylene and preparation method and application thereof 首都医科大学 2021-06-01 CN disclosed
CN-109438267-A A kind of bi-functional complexing agent and its preparation method and application containing tetraphenylethylene 首都医科大学 2019-03-08 CN disclosed