SCHEMBL8857293

SCHEMBL8857293

CC=[Zr](C1C=Cc2ccccc21)C1c2ccccc2-c2ccccc21

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CHRM2 P08172 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
NFKB1 P19838 1/20 0.30
CHRM3 P20309 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
THPO P40225 1/20 0.30

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
SCHEMBL285580 0.87 HTR2A (0.34) KDM4ELMNATP53CHRM2CYP3A4
Hydrochloric Acid SCHEMBL19874835 0.85 HTR2A (0.33) KDM4ELMNATP53CHRM2CYP3A4
Hydrochloric Acid SCHEMBL19874877 0.85 HTR2A (0.33) KDM4ELMNATP53CHRM2CYP3A4
SCHEMBL812547 0.79 GPR3 (0.41) GPR3LMNACHRM2CYP2D6CHRM1
SCHEMBL7065768 0.78 HTR2A (0.33) GPR3KDM4ELMNATP53CHRM2
SCHEMBL8676094 0.76 MEN1 (0.33) GPR3KDM4ELMNATP53CHRM2
SCHEMBL6917289 0.75 GPR3 (0.31) GPR3KDM4ELMNATP53CHRM2
SCHEMBL8857133 0.75 HTR2A (0.33) GPR3KDM4ELMNATP53CHRM2
SCHEMBL8596413 0.75 POLB (0.33) GPR3KDM4ELMNATP53CHRM2
Hydrochloric Acid SCHEMBL8380981 0.74 POLB (0.33) GPR3KDM4ECYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0754698-A2 An olefin polymerization catalyst and a process for preparing olefin polymer MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-01-22 EP disclosed