SCHEMBL2045783

SCHEMBL2045783

C=CCC1(CC=CC)C(=O)NC(=O)N(Cc2ccccc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.47
ELANE P08246 4/20 0.46
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTSG P08311 2/20 0.37
PRTN3 P24158 1/20 0.37
CNR1 P21554 1/20 0.36
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
CMA1 P23946 1/20 0.36
CTRC Q99895 1/20 0.36

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
SCHEMBL2045781 1.00 CYP2C19 (0.47) CYP2C19ELANENPSR1KMT2AMEN1
SCHEMBL2045404 0.91 CYP2C19 (0.51) CYP2C19ELANENPSR1KMT2AMEN1
SCHEMBL2047243 0.86 NPSR1 (0.57) CYP2C19ELANENPSR1KMT2AMEN1
SCHEMBL2047241 0.86 NPSR1 (0.57) CYP2C19ELANENPSR1KMT2AMEN1
SCHEMBL2052864 0.83 ELANE (0.37) CYP2C19ELANENPSR1KMT2AMEN1
SCHEMBL2052865 0.83 ELANE (0.37) CYP2C19ELANENPSR1KMT2AMEN1
SCHEMBL2050387 0.81 ELANE (0.41) CYP2C19ELANENPSR1KDM4EALDH1A1
SCHEMBL2050388 0.81 ELANE (0.41) CYP2C19ELANENPSR1KDM4EALDH1A1
SCHEMBL2050106 0.80 ELANE (0.43) ELANEKMT2AMEN1LMNAKDM4E
SCHEMBL2050104 0.80 ELANE (0.43) ELANEKMT2AMEN1LMNAKDM4E

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 5 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
WO-2009038031-A1 BLOCK 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