SCHEMBL28564003

SCHEMBL28564003

CCCCCCC1C([Hf])=Cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
HTR2A P28223 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
NFKB1 P19838 1/20 0.41
CHRM3 P20309 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
THPO P40225 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL28573968 0.93 CYP3A4 (0.42) KDM4EHTR2ACYP3A4CYP2D6LMNA
SCHEMBL11127960 0.82 KDM4E (0.41) KDM4EHTR2ACYP3A4CYP2D6LMNA
SCHEMBL6760415 0.79 CYP3A4 (0.40) KDM4EHTR2ACYP3A4CYP2D6LMNA
SCHEMBL4648745 0.79 CYP3A4 (0.40) KDM4EHTR2ACYP3A4CYP2D6LMNA
SCHEMBL6057110 0.77 KDM4E (0.41) KDM4EHTR2ACYP3A4CYP2D6LMNA
SCHEMBL812811 0.75 CYP3A4 (0.44) KDM4EHTR2ACYP3A4CYP2D6LMNA
SCHEMBL27837642 0.74 HTR2A (0.35) KDM4EHTR2ACYP3A4CYP2D6LMNA
SCHEMBL28746040 0.73 CYP3A4 (0.42) KDM4EHTR2ACYP3A4CYP2D6LMNA
Hydrochloric Acid SCHEMBL812262 0.73 KDM4E (0.45) KDM4EHTR2ACYP3A4CYP2D6LMNA
SCHEMBL407781 0.73 HTR2A (0.54) HTR2ABCHEACHE

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