SCHEMBL8779518

SCHEMBL8779518

C1=CC([Zr]C2C=Cc3ccccc32)c2ccccc21.CC[Si](Cl)(Cl)CC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.33
HTR6 P50406 1/20 0.33
SIGMAR1 Q99720 4/20 0.33
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CHRM2 P08172 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
NFKB1 P19838 1/20 0.31
CHRM3 P20309 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL8779616 0.86 HTR2A (0.33) HTR2AHTR6SIGMAR1KDM4ELMNA
Chloromethane SCHEMBL3681238 0.84 HTR2A (0.36) HTR2AHTR6SIGMAR1KDM4ELMNA
SCHEMBL28300114 0.83 HTR2A (0.35) HTR2AHTR6SIGMAR1KDM4ELMNA
SCHEMBL60674 0.82 HTR2A (0.40) HTR2AHTR6SIGMAR1KDM4ELMNA
SCHEMBL29474414 0.82 HTR2A (0.40) HTR2AHTR6SIGMAR1KDM4ELMNA
Butane SCHEMBL6916138 0.81 HTR2A (0.36) HTR2AHTR6SIGMAR1KDM4ELMNA
Ethylene SCHEMBL6914297 0.81 HTR2A (0.34) HTR2AHTR6SIGMAR1KDM4ELMNA
1,2-Dichloroethane SCHEMBL9791637 0.81 HTR6 (0.41) HTR2AHTR6SIGMAR1KDM4ELMNA
Fluoromethane SCHEMBL8734234 0.81 HTR2A (0.36) HTR2AHTR6SIGMAR1KDM4ELMNA
Hydrochloric Acid SCHEMBL5838117 0.80 HTR2A (0.39) HTR2AHTR6SIGMAR1KDM4ELMNA

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-0730003-B1 Polypropylene resin composition and molded product TOSOH CORP (JP) 1997-12-29 EP disclosed
US-5608008-A ETHYLENE-A-OLEFIN COPOLYMER ELASTOMER TOSOH CORPORATION (JP) 1997-03-04 US disclosed
EP-0730003-A1 Polypropylene resin composition and molded product Tosoh Corporation (JP) 1996-09-04 EP disclosed