SCHEMBL3689873

SCHEMBL3689873

CC(C)(C)OC(=O)c1ccc(CN2CCCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.55
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
CHKA P35790 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP2C9 P11712 1/20 0.50

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
SCHEMBL28176279 1.00 HRH3 (0.55) HRH3HDAC1HDAC8HDAC6CHKA
SCHEMBL25142596 0.87 CHKA (0.61) HRH3HDAC1HDAC8HDAC6CHKA
SCHEMBL31047972 0.86 CXCR4 (0.48) HRH3HDAC1HDAC6CHKAKDM4E
SCHEMBL18173436 0.86 KDM1A (0.46) HRH3HDAC1HDAC8HDAC6CHKA
SCHEMBL15033023 0.83 KDM4E (0.50) HRH3HDAC1HDAC6KDM4E
SCHEMBL28175300 0.83 KDM4E (0.50) HRH3HDAC1HDAC6CHKAKDM4E
SCHEMBL1335735 0.83 CHKA (0.71) HRH3HDAC1HDAC8HDAC6CHKA
SCHEMBL228900 0.83 CHKA (0.71) HRH3HDAC1HDAC8HDAC6CHKA
SCHEMBL17069928 0.83 HRH3 (0.52) HRH3HDAC1HDAC8HDAC6CHKA
SCHEMBL20843153 0.82 KDM1A (0.53) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618199-B2 Functionalized high cis-1,4-polybutadiene prepared using novel functionalizing agents OZAWA YOICHI F (JP) 2013-12-31 US claimed
US-20130102736-A1 FUNCTIONALIZED HIGH CIS-1,4-POLYBUTADIENE PREPARED USING NOVEL FUNCTIONALIZING AGENTS OZAWA YOICHI (JP) 2013-04-25 US claimed
US-20060004131-A1 Functionalized high cis-1,4-polybutadiene prepared using novel functionalizing agents OZAWA YOICHI 2006-01-05 US claimed
US-9644052-B2 Functionalized high cis-1,4-polybutadiene prepared using novel functionalizing agents BRIDGESTONE CORPORATION (JP) 2017-05-09 US disclosed
US-20150259452-A1 FUNCTIONALIZED HIGH CIS-1,4-POLYBUTADIENE PREPARED USING NOVEL FUNCTIONALIZING AGENTS JSR CORPORATION (JP) 2015-09-17 US disclosed
US-8987362-B2 Functionalized high cis-1,4-polybutadiene prepared using novel functionalizing agents BRIDGESTONE CORP (JP) 2015-03-24 US disclosed
US-20140100339-A1 FUNCTIONALIZED HIGH CIS-1,4-POLYBUTADIENE PREPARED USING NOVEL FUNCTIONALIZING AGENTS JSR CORPORATION (JP) 2014-04-10 US disclosed
US-8618199-B2 Functionalized high cis-1,4-polybutadiene prepared using novel functionalizing agents OZAWA YOICHI F (JP) 2013-12-31 US disclosed
US-20130102736-A1 FUNCTIONALIZED HIGH CIS-1,4-POLYBUTADIENE PREPARED USING NOVEL FUNCTIONALIZING AGENTS OZAWA YOICHI (JP) 2013-04-25 US disclosed
US-8362126-B2 Functionalized high cis-1,4-polybutadiene prepared using novel functionalizing agents OZAWA YOICHI (JP) 2013-01-29 US disclosed
US-20100099826-A1 FUNTIONALIZED HIGH CIS-1,4-POLYBUTADIENE PREPARED USING NOVEL FUNCTIONALIZING AGENTS OZAWA YOICHI 2010-04-22 US disclosed
US-7642322-B2 such as 4,4'-bis(N,N-dimethylamino)benzophenone, 4,4'-bis(N,N-diethylamino)benzophenone; living polymers; lanthanide-based polymerization catalysts BRIDGESTONE CORPORATION (JP) 2010-01-05 US disclosed
US-20060004131-A1 Functionalized high cis-1,4-polybutadiene prepared using novel functionalizing agents OZAWA YOICHI 2006-01-05 US disclosed