SCHEMBL5082895

SCHEMBL5082895

CC(C)OC(=O)CC(C)OC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.56
CD274 Q9NZQ7 1/20 0.56
TSHR P16473 3/20 0.53
NPC1 O15118 4/20 0.53
LMNA P02545 4/20 0.53
RAB9A P51151 3/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
POLB P06746 1/20 0.50
SCN1A P35498 1/20 0.50
SCN2A Q99250 1/20 0.50
SCN3A Q9NY46 1/20 0.50
TP53 P04637 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47

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
SCHEMBL29302944 0.87 LMNA (0.54) PDCD1CD274TSHRNPC1LMNA
SCHEMBL5082911 0.87 LMNA (0.54) PDCD1CD274TSHRNPC1LMNA
SCHEMBL5082899 0.84 LMNA (0.54) PDCD1CD274TSHRNPC1LMNA
SCHEMBL28279368 0.84 LMNA (0.48) PDCD1CD274TSHRNPC1LMNA
SCHEMBL888349 0.84 NPC1 (0.50) PDCD1CD274TSHRNPC1LMNA
SCHEMBL15869129 0.83 LMNA (0.52) PDCD1CD274TSHRNPC1LMNA
SCHEMBL888507 0.83 ALDH1A1 (0.50) PDCD1CD274TSHRNPC1LMNA
SCHEMBL5082131 0.83 TSHR (0.50) PDCD1CD274TSHRNPC1LMNA
Benzoic Acid 1-Methylethyl Ester SCHEMBL96918 0.82 PDCD1 (0.78) PDCD1CD274TSHRNPC1LMNA
Benzoic Acid 1-Methylethyl Ester SCHEMBL27592410 0.82 PDCD1 (0.78) PDCD1CD274TSHRNPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1690039-A Diester compound for preparing olefinic polymerization catalyst SINOPEC CORP (CN) 2005-11-02 CN claimed
EP-1746110-B1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION REACTION AND CATALYST THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2015-03-11 EP disclosed
CN-101759816-B Method for preparing a catalyst component for olefinic polymerization, and a catalyst component thereof CHINA PETROLEUM & CHEMICAL 2012-05-30 CN disclosed
CN-101759816-A Method for preparing a catalyst component for olefinic polymerization, and a catalyst component thereof CHINA PETROLEUM & CHEMICAL 2010-06-30 CN disclosed
CN-100429243-C Method for preparing catalyst constituent for olefinic polymerization CHINA PETROCHEMICAL CO LTD (CN) 2008-10-29 CN disclosed
CN-100429242-C Catalyst components for olefinic polyreaction and catalyst thereof CHINA PETROLEUM & CHEMICAL (CN) 2008-10-29 CN disclosed
US-7351778-B2 Catalyst component for olefin polymerization and catalyst comprising the same CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-04-01 US disclosed
CN-100348624-C Catalyst components for olefinic polyreaction and catalyst thereof CHINA PETROLEUM & CHEMICAL (CN) 2007-11-14 CN disclosed
EP-1746110-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION REACTION AND CATALYST THEREOF China Petroleum & Chemical Corporation (CN) 2007-01-24 EP disclosed
CN-1891722-A Method for preparing catalyst constituent for olefinic polymerization CHINA PETROCHEMICAL CO LTD (CN) 2007-01-10 CN disclosed
US-20060287446-A1 Catalyst component for olefin polymerization and catalyst comprising the same BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CHINA PETROLEUM & CHEMICAL COPORATION (CN) 2006-12-21 US disclosed
CN-1282670-C Catalyst components for olefinic polyreaction and catalyst thereof CHINA PETROLEUM & CHEMICAL (CN) 2006-11-01 CN disclosed
CN-1803862-A Catalyst components for olefinic polyreaction and catalyst thereof CHINA PETROLEUM & CHEMICAL (CN) 2006-07-19 CN disclosed
CN-1803863-A Catalyst components for olefinic polyreaction and catalyst thereof CHINA PETROLEUM & CHEMICAL (CN) 2006-07-19 CN disclosed
CN-1690039-A Diester compound for preparing olefinic polymerization catalyst SINOPEC CORP (CN) 2005-11-02 CN disclosed
CN-1690090-A Catalyst components for olefinic polyreaction and catalyst thereof SINOPEC CORP (CN) 2005-11-02 CN disclosed