SCHEMBL5498696

SCHEMBL5498696

CSc1ccc(O[Zr](Oc2ccc(SC)cc2)(C2=CC=CC2)C2=CC=CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP1B1 Q16678 3/20 0.36
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
SLC6A4 P31645 5/20 0.32
PLK1 P53350 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
MAOA P21397 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL8084250 0.89 CYP1A1 (0.34) CYP1A1CYP1A2CYP1B1ALDH1A1MAPT
SCHEMBL5497504 0.85
SCHEMBL5084310 0.85
SCHEMBL5081603 0.82 ACHE (0.35) ALDH1A1MAPTLMNAPOLB
SCHEMBL5498591 0.82 CA1 (0.41) ALDH1A1MAPTNPSR1KDM4ESLC6A4
SCHEMBL5498713 0.82 SLC6A4 (0.35) SLC6A4
SCHEMBL5498685 0.81 PTPRZ1 (0.41) ALDH1A1MAPTNPSR1LMNAHTT
SCHEMBL5497535 0.81 SMN1; SMN2 (0.33) CYP1A1CYP1A2CYP1B1ALDH1A1MAPT
SCHEMBL5084331 0.81 MAPT (0.31) MAPTNPSR1LMNA
SCHEMBL5087715 0.81 HTR2A (0.31) SLC6A4MAOA

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
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-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