SCHEMBL2050423

SCHEMBL2050423

C=CCC(C/C=C/C)(C(N)=O)C(=O)Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
KDM1A O60341 1/20 0.41
TGM2 P21980 1/20 0.39
PDK1 Q15118 2/20 0.38
PDK2 Q15119 2/20 0.38
PDK3 Q15120 2/20 0.38
PDK4 Q16654 2/20 0.38
MMP1 P03956 2/20 0.37
MMP2 P08253 2/20 0.37
MMP3 P08254 2/20 0.37
MMP8 P22894 1/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 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
SCHEMBL2050425 1.00 HTT (0.43) HTTKDM1ATGM2PDK1PDK2
SCHEMBL2043287 0.92 TGM2 (0.42) HTTKDM1ATGM2PDK1PDK2
SCHEMBL2043286 0.92 TGM2 (0.42) HTTKDM1ATGM2PDK1PDK2
SCHEMBL2049229 0.91 HTT (0.51) HTTKDM1ATGM2PDK1PDK2
SCHEMBL2047137 0.82 RIPK1 (0.44) HTTMMP8ALDH1A1TSHRHDAC3
SCHEMBL2047140 0.82 RIPK1 (0.44) HTTMMP8ALDH1A1TSHRHDAC3
SCHEMBL2051018 0.82 TGM2 (0.52) HTTTGM2PDK1PDK2PDK3
SCHEMBL4061838 0.81 SOAT2 (0.46) HTTKDM1AALDH1A1HDAC3HDAC1
SCHEMBL4061834 0.81 SOAT2 (0.46) HTTKDM1AALDH1A1HDAC3HDAC1
SCHEMBL2046221 0.78 HTT (0.32) HTT

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 3 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
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