SCHEMBL5499549

SCHEMBL5499549

CC1=C(C)C([Zr](Oc2cccc(C#N)c2)(Oc2cccc(C#N)c2)C2=CCC(C)=C2C)=CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.39
SLC6A3 Q01959 2/20 0.39
SLC6A4 P31645 2/20 0.39
MGLL Q99685 4/20 0.35
AR P10275 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
EPAS1 Q99814 1/20 0.33
FFAR1 O14842 1/20 0.32
CHRM4 P08173 1/20 0.32
TBXAS1 P24557 1/20 0.32

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
SCHEMBL5497564 0.84 ALDH1A1 (0.37) AR
SCHEMBL5498573 0.79 MAOB (0.37) SLC6A2SLC6A3SLC6A4
SCHEMBL5497577 0.72 SLC6A2 (0.38) SLC6A2SLC6A3SLC6A4MGLLPDE4A
SCHEMBL5496082 0.67 SMN1; SMN2 (0.33)
SCHEMBL103841 0.65 P4HB (0.55) SLC6A2SLC6A3SLC6A4ARPDE4A
SCHEMBL30083320 0.65 P4HB (0.55) SLC6A2SLC6A3SLC6A4ARPDE4A
SCHEMBL8379001 0.65 PDE4A (0.54) SLC6A2SLC6A3SLC6A4ARPDE4A
SCHEMBL1071167 0.65 SLC6A2 (0.43) SLC6A2SLC6A3SLC6A4MGLLAR
SCHEMBL1821556 0.65 GABRG2 (0.54) FFAR1TBXAS1
SCHEMBL921045 0.63 AR (0.65) SLC6A2SLC6A3SLC6A4ARPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1426386-B1 Catalyst component for polymerization of olefins MARUZEN PETROCHEM CO LTD (JP) 2007-05-30 EP disclosed
EP-0997480-B1 CATALYTIC COMPONENTS FOR THE POLYMERIZATION OF OLEFINS, POLYMERIZATION CATALYSTS, AND PROCESS FOR POLYMERIZING OLEFINS BY USING THE SAME MARUZEN PETROCHEM CO LTD (JP) 2007-02-14 EP disclosed
EP-1426386-A1 Catalyst component for polymerization of olefins MARUZEN PETROCHEMICAL CO., LTD. (JP) 2004-06-09 EP disclosed
US-6569800-B2 Zirconium, hafnium or titanium metallocene; storage stability and high catalyst activity MARUZEN PETROCHEMICAL CO., LTD. (JP) 2003-05-27 US disclosed
US-6368995-B1 REQUIRES NO DEASHING, EFFICIENTLY PRODUCES POLYMERS HAVING EXCELLENT POWDER PROPERTIES; HYDROPOLYSILOXANE COMPOUND, A SILANE COMPOUND, CONDENSATES OF THE SILANE, WITH AN ORGANOMAGNESIUM COMPOUND, AN ALCOHOL, AN ORGANOALUMINUM OXY MARUZEN PETROCHEMICAL CO., LTD. (JP) 2002-04-09 US disclosed
US-20020039963-A1 Catalyst component for polymerization of olefins, polymerization catalyst and process of polymerization of olefins by using the same MARUZEN PETROCHEMICAL CO., LTD. (JP) 2002-04-04 US disclosed
US-6350831-B1 CATALYTIC ADDITION POLYMERIZATION WITH TRANSITION METAL CATALYST MARUZEN PETROCHEMICAL CO., LTD. (JP) 2002-02-26 US disclosed
US-6323149-B1 ALCOHOL OR MERCAPTAN SUBSTITUTED TRANSITION METAL METALLOCENE; ORGANIC ALUMINUM OXY COMPOUND OR CATION GENERATOR; GENERATES NO HYDROGEN HALIDE BY HYDROLYSIS AND EASILY HANDLED, AND HAS A HIGH STORAGE STABILITY MARUZEN PETROCHEMICAL CO., LTD. (JP) 2001-11-27 US disclosed
EP-1035138-A1 SOLID CATALYSTS FOR THE POLYMERIZATION OF OLEFINS AND PROCESS FOR THE PRODUCTION OF OLEFIN POLYMERS THEREWITH MARUZEN PETROCHEMICAL CO., LTD. (JP) 2000-09-13 EP disclosed
EP-0997480-A1 CATALYTIC COMPONENTS FOR THE POLYMERIZATION OF OLEFINS, POLYMERIZATION CATALYSTS, AND PROCESS FOR POLYMERIZING OLEFINS BY USING THE SAME MARUZEN PETROCHEMICAL CO., LTD. (JP) 2000-05-03 EP disclosed