SCHEMBL458019

SCHEMBL458019

Cc1c[c]c2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 8/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 7/20 0.40
NQO2 P16083 3/20 0.35
ALDH1A1 P00352 3/20 0.32
ACHE P22303 3/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 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
SCHEMBL9720823 1.00 CYP2A6 (0.44) CYP2A6TDP1CYP1A2NQO2ALDH1A1
SCHEMBL2698723 0.83 CYP2A6 (0.46) CYP2A6TDP1CYP1A2NQO2ALDH1A1
SCHEMBL666751 0.79 CYP2A6 (0.48) CYP2A6TDP1CYP1A2NQO2ALDH1A1
SCHEMBL667864 0.77 CYP1A2 (0.52) CYP2A6TDP1CYP1A2NQO2ALDH1A1
SCHEMBL2314445 0.76 MAPT (0.35) CYP2A6NQO2ALDH1A1ACHEGLA
SCHEMBL456729 0.74 CYP2A6 (0.46) CYP2A6CYP1A2NQO2ALDH1A1ACHE
SCHEMBL18317648 0.74 CYP2A6 (0.44) CYP2A6TDP1CYP1A2ALDH1A1MAPT
SCHEMBL457801 0.73 CYP2A6 (0.44) CYP2A6CYP1A2NQO2ALDH1A1ACHE
SCHEMBL458135 0.73 CYP2A6 (0.44) CYP2A6TDP1NQO2ALDH1A1ACHE
SCHEMBL75079 0.73 ALDH1A1 (0.44) CYP2A6TDP1NQO2ALDH1A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104558340-A Propylene polymer with polar groups and preparation method of propylene polymer CHINA PETROLEUM & CHEMICAL 2015-04-29 CN claimed
CN-102731694-B Catalyst system and process for olefin polymerization EXXONMOBIL CHEM PATENTS INC 2015-04-01 CN claimed
CN-103044599-B Propylene copolymer and film product CHINA PETROLEUM & CHEMICAL 2014-12-31 CN claimed
CN-104080852-A Preparation method of polymer composition for oil modifier EXXONMOBIL CHEM PATENTS INC 2014-10-01 CN claimed
CN-103951769-A Catalyst system and process for olefin polymerization EXXONMOBIL CHEM PATENTS INC 2014-07-30 CN claimed
CN-102762654-B Elastomeric polymer blends and process for producing the same EXXONMOBIL CHEMICAL PARENTS INC 2014-04-30 CN claimed
CN-102112499-B Catalyst system and process for olefin polymerization EXXON MOBIL CHEM PATENTS INC 2014-02-05 CN claimed
CN-102464732-B Olefin polymerization method and olefin polymer prepared with same CHINA PETROLEUM & CHEMICAL 2013-06-05 CN claimed
CN-102464747-B Olefin copolymer and preparation method thereof CHINA PETROLEUM & CHEMICAL 2013-06-05 CN claimed
CN-103044599-A Propylene copolymer and film product CHINA PETROLEUM & CHEMICAL 2013-04-17 CN claimed
CN-102482373-A Catalyst system, process for olefin polymerization, and polymer compositions produced therefrom EXXONMOBIL CHEM PATENTS INC 2012-05-30 CN claimed
CN-102464732-A Olefin polymerization method and olefin polymer prepared with same CHINA PETROLEUM & CHEMICAL 2012-05-23 CN claimed
CN-102464747-A Olefin copolymer and preparation method thereof CHINA PETROLEUM & CHEMICAL 2012-05-23 CN claimed
CN-102112499-A Catalyst system and process for olefin polymerization EXXONMOBIL CHEM PATENTS INC 2011-06-29 CN claimed
CN-101932619-A Isotactic polypropylene produced from supercritical polymerization process EXXONMOBIL CHEM PATENTS INC 2010-12-29 CN claimed
CN-1478122-A Polypropylene for precision injection molding applications 埃克森美孚化学专利公司 2004-02-25 CN claimed
CN-1100784-C Preparation method of methylene bridged dicyclic pentadienyl compound HOECHST AG (DE) 2003-02-05 CN claimed
CN-1067080-C Organometallic compound HOECHST AG (DE) 2001-06-13 CN claimed
CN-1231678-A Improved method for preparing supported metallocene catalyst system EXXON CHEMICAL PATENTS INC (US) 1999-10-13 CN claimed
EP-0075139-A1 N-substituted pyruvic-acid amides, process for preparing them and fungicides containing them BASF Aktiengesellschaft (DE) 1983-03-30 EP claimed