SCHEMBL8699389

SCHEMBL8699389

CC=[Zr](C=O)(C=O)(C1C=Cc2ccccc21)C1C=Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.34
SIGMAR1 Q99720 6/20 0.32
KDM4E B2RXH2 2/20 0.32
BRD4 O60885 1/20 0.32
CCL2 P13500 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CHRM2 P08172 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
NFKB1 P19838 1/20 0.32
CHRM3 P20309 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 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
SCHEMBL61249 0.79 HTR2A (0.34) HTR2ASIGMAR1KDM4EBRD4CCL2
SCHEMBL1130930 0.76 HTR6 (0.33) HTR2ASIGMAR1KDM4EBRD4CCL2
SCHEMBL61106 0.76 HTR6 (0.33) HTR2ASIGMAR1KDM4EBRD4CCL2
SCHEMBL616106 0.76 HTR6 (0.33) HTR2ASIGMAR1KDM4EBRD4CCL2
SCHEMBL7525478 0.75 HTR6 (0.32) HTR2ASIGMAR1HTR6
SCHEMBL7644875 0.74 P2RX1 (0.31) BRD4CCL2MEN1KMT2A
SCHEMBL6918052 0.73 HTR6 (0.31) HTR2AHTR6
SCHEMBL819261 0.73 HTR2A (0.34) HTR2ASIGMAR1KDM4ELMNATP53
SCHEMBL616009 0.73 SIGMAR1 (0.32) HTR2ASIGMAR1KDM4ELMNATP53
SCHEMBL6917307 0.73 HTR2A (0.32) HTR2ASIGMAR1

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
EP-0448115-B1 Method for producing a polyolefin TOSOH CORP (JP) 1998-01-07 EP disclosed
US-5629390-A Method for producing a polyolefin TOSOH CORPORATION (JP) 1997-05-13 US disclosed
EP-0448115-A2 Method for producing a polyolefin Tosoh Corporation (JP) 1991-09-25 EP disclosed