SCHEMBL5498607

SCHEMBL5498607

CCCCC1=C([Zr](Oc2ccccc2F)(Oc2ccccc2F)C2=C(CCCC)C=CC2)CC=C1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
FAAH O00519 9/20 0.34
TDP1 Q9NUW8 1/20 0.33
NCEH1 Q6PIU2 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.31
LPAR1 Q92633 1/20 0.30
LPAR5 Q9H1C0 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
SCHEMBL5087592 0.85 CFTR (0.33) L3MBTL1TDP1ALDH1A1
SCHEMBL5087759 0.84 PPARG (0.33) TDP1KDM4EALDH1A1
SCHEMBL5081350 0.82 ALDH1A1 (0.36) TDP1KDM4EALDH1A1
SCHEMBL5084938 0.81 TSHR (0.34) L3MBTL1KDM4EALDH1A1
SCHEMBL5495119 0.81 LTA4H (0.35) ALDH1A1
SCHEMBL5085014 0.74 PPARA (0.35)
SCHEMBL5087166 0.73 MEN1 (0.33) ALDH1A1
SCHEMBL5087262 0.72 KMT2A (0.40) FAAHKDM4EALDH1A1
SCHEMBL5084395 0.72 LMNA (0.34) TDP1KDM4EALDH1A1
SCHEMBL5081385 0.71 L3MBTL1 (0.41) L3MBTL1KDM4E

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 8 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-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