SCHEMBL4623138

SCHEMBL4623138

CC1=Cc2c(-c3ccccc3)cccc2C1CCC1C(C)=Cc2c(-c3ccccc3)cccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
HTR2A P28223 1/20 0.32
BRD4 O60885 1/20 0.32
HTR7 P34969 2/20 0.32
DPP4 P27487 1/20 0.32
CYP2A6 P11509 2/20 0.31
USP30 Q70CQ3 1/20 0.31
CYP2B6 P20813 1/20 0.31
ALDH1A1 P00352 3/20 0.31
MAPK1 P28482 3/20 0.31
HSD17B10 Q99714 2/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.31
BCL2L1 Q07817 1/20 0.31
ADRB2 P07550 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
SCHEMBL3998331 0.98 PDCD1 (0.38) PDCD1CD274CHRNB2CHRNA4HTR2A
SCHEMBL6890691 0.95 PDCD1 (0.38) PDCD1CD274CHRNB2CHRNA4HTR2A
SCHEMBL7110286 0.95 PDCD1 (0.38) PDCD1CD274CHRNB2CHRNA4HTR2A
SCHEMBL1453704 0.93 PDCD1 (0.34) PDCD1CD274CHRNB2CHRNA4HTR2A
SCHEMBL1452035 0.91 ALDH1A1 (0.40) PDCD1CD274ALDH1A1MAPK1
SCHEMBL27546243 0.91 PDCD1 (0.35) PDCD1CD274CHRNB2CHRNA4USP30
SCHEMBL28807858 0.91 BCHE (0.36) PDCD1CD274ALDH1A1MAPK1LMNA
SCHEMBL5084813 0.90 PDCD1 (0.39) PDCD1CD274CHRNB2CHRNA4HTR2A
SCHEMBL27489709 0.88 SOAT1 (0.37)
SCHEMBL8679512 0.87 PDCD1 (0.37) PDCD1CD274CHRNB2CHRNA4HTR2A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1053263-B1 CATALYST SYSTEM BASELL POLYOLEFINE GMBH (DE) 2003-10-01 EP claimed
EP-1954724-A1 SYNDIOTACTIC PROPYLENE ELASTOMERS ExxonMobil Chemical Patents Inc. (US) 2008-08-13 EP disclosed
EP-1219657-B1 POLYARYLENE AND METHOD FOR PRODUCTION THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2008-03-19 EP disclosed
WO-2007061525-A1 SYNDIOTACTIC PROPYLENE ELASTOMERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-31 WO disclosed
US-6984743-B1 Method for producing metallocenes BASELL POLYOLEFINE GMBH (DE) 2006-01-10 US disclosed
EP-1558655-A2 MULTIPLE CATALYST SYSTEM FOR OLEFIN POLYMERIZATION AND POLYMERS PRODUCED THEREFROM Exxonmobil Chemical Patents Inc. (US) 2005-08-03 EP disclosed
WO-2004046214-A2 MULTIPLE CATALYST SYSTEM FOR OLEFIN POLYMERIZATION AND POLYMERS PRODUCED THEREFROM EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-06-03 WO disclosed
US-6620953-B1 Complexing dimethylbis(2-methyl-4,5-benzoindenyl)silane with transition metal compounds such as 2,4-di-tert-butylphenoxide, zirconium monochloride, to form polymerization catalysts BASSELL POLYOLEFINE GMBH (DE) 2003-09-16 US disclosed
EP-0889059-B1 Catalyst based on monoazadiene metal complexes BAYER AG (DE) 2003-02-12 EP disclosed
EP-1015463-B1 METHOD FOR PRODUCING METALLOCENES BASELL POLYOLEFINE GMBH (DE) 2002-12-11 EP disclosed
US-6051727-A A POLYMERIZATION CATALYST FOR POLYOLEFINS OF HIGH MOLECULAR WEIGHT, OF PARTICULAR IMPORTANCE FOR THE PRODUCTION OF FILMS, SHEETS OR LARGE HOLLOW ARTICLES OR MOLDINGS SUCH AS PIPES TARGOR GMBH (DE) 2000-04-18 US disclosed
US-5965678-A Catalyst system based on monoazadiene metal complexes BAYER AG (DE) 1999-10-12 US disclosed
EP-0924322-A1 Conjugate fibers and non-woven fabrics therefrom Mitsui Chemicals, Inc. (JP) 1999-06-23 EP disclosed
EP-0889059-A1 Catalyst based on monoazadiene metal complexes BAYER AG (DE) 1999-01-07 EP disclosed
US-5840644-A OLEFIN POLYMERIZATION CATALYSTS TARGOR GMBH (DE) 1998-11-24 US disclosed
US-5786432-A POLYMERIZING OR COPOLYMERIZING OLEFIN IN PRESENCE OF TRANSITION METAL METALLOCENE CATALYST AND COCATALYST TARGOR GMBH (DE) 1998-07-28 US disclosed
US-5770753-A ADDITION POLYMERIZATION CATALYST TARGOR GMBH (DE) 1998-06-23 US disclosed
EP-0576970-B1 Metallocenes with arylsubstituted indenyl-derivatives as ligands, process for their preparation and their use as catalysts HOECHST AG (DE) 1998-01-14 EP disclosed
EP-0790076-A2 Catalysts containing metallocenes with arylsubstituted indenyl derivatives as ligands, process and intermediates for the preparation of these metallocenes and their use HOECHST AKTIENGESELLSCHAFT (DE) 1997-08-20 EP disclosed
EP-0576970-A1 Metallocenes with arylsubstituted indenyl-derivatives as ligands, process for their preparation and their use as catalysts HOECHST AKTIENGESELLSCHAFT (DE) 1994-01-05 EP disclosed