SCHEMBL5499719

SCHEMBL5499719

C=CCc1cccc(O[Zr](Oc2cccc(CC=C)c2)(C2=CC=CC2)C2=CC=CC2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
CYP3A4 P08684 4/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
GABRA1 P14867 4/20 0.32
GABRB2 P47870 4/20 0.32
ALOX5 P09917 2/20 0.32
AR P10275 1/20 0.32
PTGS1 P23219 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
SCHEMBL5087634 0.83 KDM4E (0.40) ALDH1A1TSHRSMN1; SMN2CHRM2CHRM1
SCHEMBL5498498 0.83 ALDH1A1 (0.47) ALDH1A1PPARGPPARDPPARACYP3A4
SCHEMBL5084373 0.82 TAAR1 (0.33) CHRM2CHRM1CHRM3TAAR1
SCHEMBL5083613 0.82 SIGMAR1 (0.33) ALDH1A1TSHRSMN1; SMN2CHRM2CHRM1
SCHEMBL5497546 0.82 LTA4H (0.37) ALDH1A1TAAR1
SCHEMBL5498450 0.80 NOS1 (0.37) ALDH1A1TSHR
SCHEMBL5498445 0.80 TP53 (0.38) ALDH1A1CYP3A4TP53SMN1; SMN2CYP2D6
SCHEMBL5081344 0.79 CETP (0.32) CHRM2CHRM1CHRM3TAAR1
SCHEMBL5499565 0.76 ACHE (0.39) ALDH1A1CYP3A4SMN1; SMN2CYP2D6CYP2C9
SCHEMBL5083472 0.76 ACHE (0.43) ALDH1A1

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