SCHEMBL1785260

SCHEMBL1785260

CC(C)(OC(=O)c1cccc(Cl)c1)C(C)(C)OC(=O)c1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.52
SLC6A2 P23975 2/20 0.50
CHRNA1 P02708 1/20 0.50
CHRNG P07510 1/20 0.50
ITGA5 P08648 1/20 0.50
CHRNB1 P11230 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
SLC6A4 P31645 1/20 0.50
CHRNA3 P32297 1/20 0.50
CYP2C19 P33261 1/20 0.50
HRH1 P35367 1/20 0.50
CHRNA7 P36544 1/20 0.50
OPRK1 P41145 1/20 0.50
CHRNA4 P43681 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CHRND Q07001 1/20 0.50
KCNH2 Q12809 1/20 0.50
ALDH1A1 P00352 4/20 0.49
BLM P54132 1/20 0.49

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
SCHEMBL28714346 0.89 PARP1 (0.52) PARP1SLC6A2CHRNA1CHRNGITGA5
SCHEMBL28062638 0.84 PARP1 (0.53) PARP1SLC6A2CHRNA1CHRNGITGA5
SCHEMBL1784734 0.83 SLC6A2 (0.49) PARP1SLC6A2CHRNA1CHRNGITGA5
SCHEMBL4836527 0.82 SLC6A2 (0.42) SLC6A2CHRNA1CHRNGITGA5CHRNB1
Chloromethane SCHEMBL4962643 0.81 PARP1 (0.60) PARP1SLC6A2CHRNA1CHRNGITGA5
SCHEMBL5082306 0.81 CHRM2 (0.51) PARP1SLC6A2CHRNA1CHRNGITGA5
SCHEMBL4836624 0.80 SLC6A2 (0.46) PARP1SLC6A2CHRNA1CHRNGITGA5
SCHEMBL642345 0.79 RAB9A (0.59) PARP1CYP2C19ALDH1A1NPSR1KMT2A
SCHEMBL29406761 0.79 RAB9A (0.59) PARP1CYP2C19ALDH1A1NPSR1KMT2A
SCHEMBL1524134 0.79 ALDH1A1 (0.64) PARP1SLC6A2CHRNA1CHRNGITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3486263-A2 SELF-LIMITING CATALYST COMPOSITION WITH NO SILANE W.R. Grace & CO. - CONN. (US) 2019-05-22 EP disclosed
EP-2185600-B1 SELF-LIMITING CATALYST COMPOSITION WITH NO SILANE GRACE W R & CO (US) 2018-10-31 EP disclosed
US-9796796-B2 Self-limiting catalyst composition with No silane W. R. GRACE & CO.-CONN. (US) 2017-10-24 US disclosed
EP-1666505-B1 CATALYST COMPONENTS CATALYSTS FOR OLEFINIC POLYMERIZATION AND THE USE THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2016-03-23 EP disclosed
US-20130109789-A1 OLEFIN POLYMERIZATION CATALYST, PROCESS FOR PRODUCING OLEFIN POLYMER, POLYPROPYLENE RESIN COMPOSITION AND ARTICLE COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-02 US disclosed
US-20110124491-A1 Self-Limiting Catalyst Composition with No Silane W. R. GRACE & CO.-CONN. 2011-05-26 US disclosed
US-7332455-B2 Catalyst component and catalyst for olefin polymerization as well as use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-02-19 US disclosed
EP-1666505-A1 CATALYST COMPONENTS CATALYSTS FOR OLEFINIC POLYMERIZATION AND THE USE THEREOF China Petroleum & Chemical Corporation (CN) 2006-06-07 EP disclosed
US-20050119427-A1 Catalyst component and catalyst for olefin polymerization as well as use thereof BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY, CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2005-06-02 US disclosed