SCHEMBL28223897

SCHEMBL28223897

COC(C1=Cc2ccccc2C1C(OC)c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.40
CHRM2 P08172 2/20 0.33
ADRA2A P08913 2/20 0.33
CHRM1 P11229 2/20 0.33
DRD1 P21728 2/20 0.33
SLC6A2 P23975 2/20 0.33
ADRA1A P35348 2/20 0.33
OPRM1 P35372 2/20 0.33
DRD3 P35462 2/20 0.33
SLC6A3 Q01959 2/20 0.33
KCNH2 Q12809 2/20 0.33
HTR1A P08908 1/20 0.33
CYP2D6 P10635 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MAPK1 P28482 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32

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
SCHEMBL7597401 0.72 EPHX1 (0.47) EPHX1CYP2D6SMN1; SMN2IDO1
SCHEMBL461448 0.68 IDO1 (0.47) EPHX1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL7600997 0.67 EPHX1 (0.42) EPHX1HTR2AHTR6SIGMAR1IDO1
SCHEMBL23296602 0.66 IDO1 (0.46) EPHX1CHRM2ADRA2ACHRM1DRD1
SCHEMBL13697238 0.63 MLKL (0.51) SMN1; SMN2NPSR1IDO1TDO2
SCHEMBL8569420 0.62 EPHX1 (0.38) EPHX1MAPK1SMN1; SMN2
SCHEMBL19144912 0.62 IDO1 (0.64) EPHX1SLC6A2SLC6A3SLC6A4IDO1
SCHEMBL12814519 0.61 LMNA (0.37) ADRA2ACYP2D6ADRA2CHTR2ASMN1; SMN2
SCHEMBL4652033 0.60 HTR2A (0.33) HTR2A
SCHEMBL574074 0.60 HTR2A (0.33) HTR2A

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-108368192-A The manufacturing method of alpha-olefine polymerization solid catalyst component and the manufacturing method for using its alpha-olefine polymers 日本聚丙烯株式会社 2018-08-03 CN disclosed
CN-108212215-A The catalyst system closed for ethylene oligomerization and the method using its production ethylene low polymer 韩华道达尔有限公司 2018-06-29 CN disclosed