SCHEMBL28564002

SCHEMBL28564002

CCCCCC[C]1C=Cc2ccccc21.[Hf]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.46
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
PTPN1 P18031 1/20 0.41
GPR3 P46089 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
KCNH2 Q12809 3/20 0.39
CNR1 P21554 1/20 0.39
ASAH1 Q13510 1/20 0.36
ESR1 P03372 2/20 0.35
ADRA2A P08913 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
TACR2 P21452 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SHBG P04278 1/20 0.35

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
SCHEMBL3681426 0.98 SETD7 (0.47) SETD7NR1H2NR1H3PTPN1GPR3
SCHEMBL218345 0.98 SETD7 (0.47) SETD7NR1H2NR1H3PTPN1GPR3
SCHEMBL3684068 0.98 SETD7 (0.47) SETD7NR1H2NR1H3PTPN1GPR3
SCHEMBL216967 0.98 SETD7 (0.47) SETD7NR1H2NR1H3PTPN1GPR3
SCHEMBL3685991 0.96 SETD7 (0.44) SETD7NR1H2NR1H3PTPN1GPR3
SCHEMBL28573966 0.93 SETD7 (0.41) SETD7NR1H2NR1H3PTPN1GPR3
SCHEMBL219213 0.91 SETD7 (0.42) SETD7NR1H2NR1H3PTPN1GPR3
SCHEMBL19643790 0.89 SETD7 (0.41) SETD7NR1H2NR1H3PTPN1GPR3
SCHEMBL28818349 0.89 SETD7 (0.41) SETD7NR1H2NR1H3PTPN1GPR3
SCHEMBL28807005 0.84 SETD7 (0.38) SETD7NR1H2NR1H3PTPN1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113039221-A Process for preparing poly-alpha-olefin terpolymer 埃克森美孚化学专利公司 2021-06-25 CN disclosed
CN-113015755-A Metallocene dimer selective catalyst and process for preparing poly-alpha-olefin dimers 埃克森美孚化学专利公司 2021-06-22 CN disclosed
CN-112912357-A Process and apparatus for producing poly-alpha-olefin terpolymer 埃克森美孚化学专利公司 2021-06-04 CN disclosed