SCHEMBL2045934

SCHEMBL2045934

C=CCC1(C/C=C/C)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
CYP2C19 P33261 1/20 0.38
ELANE P08246 5/20 0.38
PGR P06401 2/20 0.38
LMNA P02545 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 2/20 0.34
GPR55 Q9Y2T6 2/20 0.34
CNR1 P21554 1/20 0.34
ABCB11 O95342 1/20 0.33
PTGS1 P23219 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 2/20 0.31

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
SCHEMBL2045937 1.00 KDM4E (0.43) KDM4EPKMCYP2C19ELANEPGR
SCHEMBL2043898 0.89 KDM4E (0.47) KDM4EPKMCYP2C19ELANEPGR
SCHEMBL2052076 0.87 KDM4E (0.46) KDM4EPKMCYP2C19ELANEPGR
SCHEMBL2052075 0.87 KDM4E (0.46) KDM4EPKMCYP2C19ELANEPGR
SCHEMBL2047369 0.86 ELANE (0.50) CYP2C19ELANEPGRALDH1A1NPSR1
SCHEMBL2047367 0.86 ELANE (0.50) CYP2C19ELANEPGRALDH1A1NPSR1
SCHEMBL2047716 0.85 KDM4E (0.47) KDM4EPKMCYP2C19ELANEPGR
SCHEMBL2047717 0.85 KDM4E (0.47) KDM4EPKMCYP2C19ELANEPGR
SCHEMBL2051040 0.82 KDM4E (0.51) KDM4EPKMCYP2C19ELANEPGR
SCHEMBL2051041 0.82 KDM4E (0.51) KDM4EPKMCYP2C19ELANEPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964691-B2 5,5-diallyl-2,2-dimethyl-1,3-dioxane as monomer units; polymerization catalysts; heat resistance SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-21 US disclosed
WO-2009038006-A1 RANDOM COPOLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-26 WO disclosed
US-20080214755-A1 OLEFIN-DIENE COPOLYMER AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-04 US disclosed
US-20080214754-A1 DIENE POLYMER AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-04 US disclosed