SCHEMBL1582945

SCHEMBL1582945

CCC1=Cc2c(-c3ccccc3)cccc2C1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
BCL2L1 Q07817 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ADRB2 P07550 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC5A2 P31639 1/20 0.31
BRD4 O60885 1/20 0.31
RAB9A P51151 1/20 0.30
RCE1 Q9Y256 1/20 0.30
HTR7 P34969 1/20 0.30
HNF4A P41235 1/20 0.30
KDM4E B2RXH2 2/20 0.30
DPP4 P27487 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
SCHEMBL27389772 0.85 BCHE (0.35) PDCD1CD274ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5859122 0.83 PDCD1 (0.34) PDCD1CD274EDNRBEDNRAADRB2
SCHEMBL4620494 0.81 PDCD1 (0.33) PDCD1CD274EDNRBEDNRAADRB2
SCHEMBL7644720 0.81 PDCD1 (0.33) PDCD1CD274EDNRBEDNRAADRB2
SCHEMBL6649301 0.81 PDCD1 (0.33) PDCD1CD274EDNRBEDNRAADRB2
SCHEMBL28313074 0.80 PDCD1 (0.33) PDCD1CD274ADRB2CHRNB2CHRNA4
Fluoride Ion SCHEMBL7643351 0.80 PDCD1 (0.33) PDCD1CD274ADRB2CHRNB2CHRNA4
SCHEMBL28313073 0.80 PDCD1 (0.33) PDCD1CD274ADRB2CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL4249925 0.80 PDCD1 (0.33) PDCD1CD274ADRB2CHRNB2CHRNA4
Iodide SCHEMBL27464204 0.80 PDCD1 (0.33) PDCD1CD274ADRB2CHRNB2CHRNA4

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629632-B2 Polypropylene MITSUI CHEMICALS INC (JP) 2015-01-21 EP disclosed
EP-1070729-B1 Transition metal compound, olefin polymerization catalyst component comprising said compound, olefin polymerization catalyst containing said component, process for olefin polymerization using said catalyst, propylene homopolymer, propylene copolymer and propylene elastomer MITSUI CHEMICALS INC (JP) 2011-09-28 EP disclosed
EP-0812854-B2 Novel transition metal compound, olefin polymerization catalyst comprising said compound, process for olefin polymerization using said catalyst and propylene homo- and copolymer MITSUI CHEMICALS INC (JP) 2011-04-20 EP disclosed
CN-1166702-C Propylene Homopolymer, Propylene Copolymer and Propylene Elastomer 三井化学株式会社 2004-09-15 CN disclosed
EP-0812854-B1 Novel transition metal compound, olefin polymerization catalyst comprising said compound, process for olefin polymerization using said catalyst and propylene homo- and copolymer MITSUI CHEMICALS INC (JP) 2001-08-16 EP disclosed
EP-1070729-A2 Transition metal compound, olefin polymerization catalyst component comprising said compound, olefin polymerization catalyst containing said component, process for olefin polymerization using said catalyst, propylene homopolymer, propylene copolymer and propylene elastomer Mitsui Chemicals, Inc. (JP) 2001-01-24 EP disclosed
EP-0629632-B1 Polypropylene MITSUI CHEMICALS INC (JP) 2000-10-04 EP disclosed
CN-1052734-C Propylene elastomer MITSUI PETROCHEMICAL IND (JP) 2000-05-24 CN disclosed
CN-1249312-A Propylene Homopolymer, Propylene Copolymer and Propylene Elastomer MITSUI CHEMICALS INC (JP) 2000-04-05 CN disclosed
CN-1048501-C Transition metal compound, olefin polymerization catalyst, and olefin polymerization method MITSUI PETROCHEMICAL IND (JP) 2000-01-19 CN disclosed
US-5936053-A RIGIDITY, HEAT RESISTANCE, IMPACT STRENGTH; LOW PROPORTION OF INVERSELY INSERTED PROPYLENE UNITS MITSUI CHEMICALS, INC. (JP) 1999-08-10 US disclosed
US-5723640-A Transition metal compound having indenyl-containing metallocene MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1998-03-03 US disclosed
US-5710223-A COORDINATION POLYMERIZATION CATALYSTS FOR PROPYLENE HOMOPOLYMERS AND COPOLYMERS MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) 1998-01-20 US disclosed
US-5705584-A COORDINATION CATALYSTS FOR ADDITION POLYMERIZATION OF PROPYLENE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1998-01-06 US disclosed
EP-0812854-A2 Novel transition metal compound, olefin polymerization catalyst comprising said compound, process for olefin polymerization using said catalyst and propylene homo- and copolymer MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-12-17 EP disclosed
US-5658997-A USING ZIRCONIUM COMPOUND WITH ALUMINOXANE AND ORGANOALUMINUM COMPOUND MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-08-19 US disclosed
US-5629254-A Substituted indenyl ring containing metallocene catalyst for propylene polymerization process MITSUI PETROCHEMICAL INDUSTRIES CO., LTD. (JP) 1997-05-13 US disclosed
CN-1116852-A Propylene elastomer MITSUI PETROCHEMICAL IND (JP) 1996-02-14 CN disclosed
CN-1103405-A Transition metal compound, olefin polymerization catalyst, olefin polymerization process, and propylene polymer MITSUI PETROCHEMICAL IND (JP) 1995-06-07 CN disclosed
EP-0629632-A2 Novel transition metal compound for use as a polymerization catalyst MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-12-21 EP disclosed