SCHEMBL1058150

SCHEMBL1058150

CN(C)CCCC=Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
HTR2A P28223 5/20 0.44
HRH1 P35367 1/20 0.44
NR1I2 O75469 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2C P18825 1/20 0.43
CNR1 P21554 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRK1 P41145 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
EBP Q15125 1/20 0.43

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
SCHEMBL33528489 0.94 SIGMAR1 (0.47) SIGMAR1MEN1KMT2ABCHEACHE
SCHEMBL1828776 0.88 SIGMAR1 (0.49) SIGMAR1MEN1KMT2AHTR2ANR1I2
SCHEMBL187731 0.88 SIGMAR1 (0.49) SIGMAR1MEN1KMT2AHTR2ANR1I2
SCHEMBL11866070 0.84 RELA (0.43) SIGMAR1MEN1KMT2AHTR2ANR1I2
SCHEMBL9063828 0.81 SIGMAR1 (0.41) SIGMAR1MEN1KMT2AHTR2ANR1I2
SCHEMBL3240089 0.81 IDO1 (0.52) SIGMAR1HTR2A
SCHEMBL13315357 0.80 CHRNB2 (0.59) MEN1KMT2A
SCHEMBL3795388 0.79 SIGMAR1 (0.50) SIGMAR1HTR2A
SCHEMBL9656604 0.79 SIGMAR1 (0.39) SIGMAR1MEN1KMT2AHTR2ANR1I2
Trimethylammonium SCHEMBL28825238 0.78 SIGMAR1 (0.44) SIGMAR1MEN1KMT2AHTR2ANR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487018-B2 Heavy metal-free and anaerobically compostable vinyl halide compositions, articles and landfill biodegradation BIOTECH PRODUCTS, LLC (US) 2013-07-16 US claimed
WO-2012115684-A1 HEAVY METAL-FREE AND ANAEROBICALLY COMPOSTABLE VINYL HALIDE COMPOSITIONS, ARTICLES AND LANDFILL BIODEGRADATION BIOTECH PRODUCTS, LLC (US) 2012-08-30 WO claimed
US-20110159766-A1 HEAVY METAL-FREE AND ANAEROBICALLY COMPOSTABLE VINYL HALIDE COMPOSITIONS, ARTICLES AND LANDFILL BIODEGRADATION BIOTECH PRODUCTS, LLC (US) 2011-06-30 US claimed
US-7956101-B2 Anaerobically compostable polymeric compositions, articles and landfill biodegradation BIOTECH PRODUCTS, LLC (US) 2011-06-07 US claimed
US-20090275111-A1 Anaerobically Compostable Polymeric Compositions, Articles and Landfill Biodegradation BIOTECH PRODUCTS, LLC (US) 2009-11-05 US claimed
EP-2451868-A1 ANAEROBICALLY COMPOSTABLE POLYMERIC COMPOSITIONS, ARTICLES AND LANDFILL BIODEGRADATION BIOtech Products, LLC (US) 2012-05-16 EP disclosed
US-7956101-B2 Anaerobically compostable polymeric compositions, articles and landfill biodegradation BIOTECH PRODUCTS, LLC (US) 2011-06-07 US disclosed
WO-2011005446-A1 ANAEROBICALLY COMPOSTABLE POLYMERIC COMPOSITIONS, ARTICLES AND LANDFILL BIODEGRADATION BIOTECH PRODUCTS, LLC (US) 2011-01-13 WO disclosed
US-20090275111-A1 Anaerobically Compostable Polymeric Compositions, Articles and Landfill Biodegradation BIOTECH PRODUCTS, LLC (US) 2009-11-05 US disclosed