SCHEMBL7061765

SCHEMBL7061765

CC[C@@H]1C2=C(CCC3=C([Zr]2)[C@H](CC)c2ccccc23)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.37
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ADRA2C P18825 1/20 0.31
PTGS2 P35354 1/20 0.31
HRH1 P35367 1/20 0.31
HTR3A P46098 1/20 0.31
PDE4D Q08499 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
RET P07949 1/20 0.31
CYP1A2 P05177 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL633764 0.72 HTR2A (0.58) HTR2AKDM4EALDH1A1HPGDBCHE
SCHEMBL2234349 0.72 HTR2A (0.37) HTR2AKDM4EALDH1A1HPGDADRA2C
SCHEMBL8587288 0.71 HTR2A (0.56) HTR2AKDM4EALDH1A1HPGDBCHE
SCHEMBL8586913 0.71 HTR2A (0.56) HTR2AKDM4EALDH1A1HPGDBCHE
Potassium SCHEMBL8586916 0.71 HTR2A (0.56) HTR2AKDM4EALDH1A1HPGDBCHE
Lithium SCHEMBL8587291 0.71 HTR2A (0.56) HTR2AKDM4EALDH1A1HPGDBCHE
SCHEMBL6351597 0.69 HTR2A (0.34) HTR2A
Hydrochloric Acid SCHEMBL8174122 0.69 HTR2A (0.54) HTR2AKDM4EALDH1A1HPGDBCHE
SCHEMBL6351600 0.68 HTR2A (0.33) HTR2A
SCHEMBL6343794 0.68 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0942011-B1 Multi-stage process for the polymerization of olefins BASELL POLIOLEFINE SPA (IT) 2003-05-14 EP claimed