SCHEMBL2045404

SCHEMBL2045404

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.51
ELANE P08246 4/20 0.50
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
CTSG P08311 2/20 0.43
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43
CMA1 P23946 1/20 0.43
CTRC Q99895 1/20 0.43
USP2 O75604 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
CNR1 P21554 1/20 0.42
GSK3A P49840 2/20 0.41

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
SCHEMBL2045783 0.91 CYP2C19 (0.47) CYP2C19ELANENPSR1KMT2AMEN1
SCHEMBL2045781 0.91 CYP2C19 (0.47) CYP2C19ELANENPSR1KMT2AMEN1
SCHEMBL2045025 0.83 NPSR1 (0.64) ELANENPSR1KMT2AMEN1KDM4E
SCHEMBL17716268 0.83 CYP2C19 (0.57) CYP2C19ELANENPSR1KMT2AMEN1
SCHEMBL27630388 0.80 ELANE (0.73) CYP2C19ELANENPSR1KMT2AMEN1
SCHEMBL2051025 0.79 ELANE (0.40) CYP2C19ELANENPSR1KMT2AMEN1
SCHEMBL2050057 0.76 ELANE (0.45) ELANENPSR1KMT2AMEN1KDM4E
SCHEMBL2047107 0.76 PGR (0.48) CYP2C19ELANEKMT2AMEN1KDM4E
SCHEMBL2047241 0.75 NPSR1 (0.57) CYP2C19ELANENPSR1KMT2AMEN1
SCHEMBL2047243 0.75 NPSR1 (0.57) CYP2C19ELANENPSR1KMT2AMEN1

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-2009038031-A1 BLOCK COPOLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-26 WO 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