SCHEMBL5495591

SCHEMBL5495591

O=[N+]([O-])c1cccc(O[Zr](Oc2cccc([N+](=O)[O-])c2)(C2=CC=CC2)C2=CC=CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
TSHR P16473 3/20 0.42
LMNA P02545 1/20 0.42
ACHE P22303 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
HSP90AA1 P07900 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
F2 P00734 1/20 0.39
TP53 P04637 1/20 0.38
NFE2L2 Q16236 1/20 0.37
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL5496152 0.83 PTGS2 (0.43) TSHRLMNAACHETP53ALDH1A1
SCHEMBL5083472 0.77 ACHE (0.43) LMNAACHESLC6A2SLC6A4SLC6A3
SCHEMBL5087287 0.76 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL5084383 0.76 NFE2L2 (0.34) ACHESLC6A2SLC6A4SLC6A3NFE2L2
SCHEMBL5497535 0.74 SMN1; SMN2 (0.33) TSHRLMNANPSR1TP53ALDH1A1
SCHEMBL5492293 0.74 AKR1C3 (0.39) TSHRALDH1A1TDP1
SCHEMBL1361360 0.74 TSHR (0.59) CHRNB2CHRNA4TSHRLMNAACHE
SCHEMBL5497450 0.74 LMNA (0.46) LMNAACHETP53ALDH1A1
SCHEMBL5499658 0.73 KIF11 (0.31)
SCHEMBL5500884 0.73 APP (0.38) TSHRACHEF2ALDH1A1ALOX15

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