SCHEMBL8679648

SCHEMBL8679648

C=CCC[Si](C)(C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.33
HTR2A P28223 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ACHE P22303 2/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
SLC22A2 O15244 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
SCHEMBL7152500 0.98 GPR3 (0.32) GPR3HTR2ACYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL6727342 0.97 CYP3A4 (0.34) GPR3HTR2ACYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL6727344 0.97 GPR3 (0.32) GPR3HTR2ACYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL6295671 0.97 GPR3 (0.32) GPR3HTR2ACYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL6295669 0.97 GPR3 (0.32) GPR3HTR2ACYP3A4CYP2D6CYP2C9
SCHEMBL8362300 0.89 USP2 (0.34) GPR3HTR2ACYP3A4CYP2D6CYP2C9
SCHEMBL7158825 0.87 USP2 (0.36) GPR3HTR2ACYP3A4CYP2D6CYP2C9
SCHEMBL7158610 0.87 USP2 (0.33) GPR3HTR2ACYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL6731375 0.86 USP2 (0.33) ACHECHRM2HTR1AADRA2ACHRM1
Hydrochloric Acid SCHEMBL6727446 0.86 USP2 (0.33) ACHECHRM2HTR1AADRA2ACHRM1

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
WO-1998052686-A1 METHOD FOR MAKING AND USING A PREPOLYMERIZED OLEFIN POLYMERIZATION CATALYST PHILLIPS PETROLEUM COMPANY (US) 1998-11-26 WO claimed
US-20070060722-A1 comprising a fluorenyl metallocene compound, a second pentadienyl-fluorenyl metallocene compound, a catalyst support, and an organoaluminum compound; polymers with stiffness and slow crack growth resistance, excellent impact strength; ethylene-hexene/1-/ copolymer CHEVRON PHILLIPS CHEMICAL COMPANY, L.P. 2007-03-15 US disclosed
WO-1998052686-A1 METHOD FOR MAKING AND USING A PREPOLYMERIZED OLEFIN POLYMERIZATION CATALYST PHILLIPS PETROLEUM COMPANY (US) 1998-11-26 WO disclosed