SCHEMBL2043286

SCHEMBL2043286

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.42
PDK1 Q15118 2/20 0.41
PDK2 Q15119 2/20 0.41
PDK3 Q15120 2/20 0.41
PDK4 Q16654 2/20 0.41
MMP8 P22894 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
MMP1 P03956 2/20 0.39
MMP2 P08253 2/20 0.39
MMP3 P08254 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM1A O60341 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL2043287 1.00 TGM2 (0.42) TGM2PDK1PDK2PDK3PDK4
SCHEMBL2050425 0.92 HTT (0.43) TGM2PDK1PDK2PDK3PDK4
SCHEMBL2050423 0.92 HTT (0.43) TGM2PDK1PDK2PDK3PDK4
SCHEMBL2051018 0.89 TGM2 (0.52) TGM2PDK1PDK2PDK3PDK4
SCHEMBL2049229 0.81 HTT (0.51) TGM2PDK1PDK2PDK3PDK4
SCHEMBL2044949 0.81 RIPK1 (0.48) MMP8ALDH1A1MEN1KMT2A
SCHEMBL2044951 0.81 RIPK1 (0.48) MMP8ALDH1A1MEN1KMT2A
SCHEMBL28997148 0.77 PDK1 (0.50) TGM2PDK1PDK2PDK3PDK4
SCHEMBL4061838 0.76 SOAT2 (0.46) ALDH1A1HTTMEN1KMT2AKDM1A
SCHEMBL4061834 0.76 SOAT2 (0.46) ALDH1A1HTTMEN1KMT2AKDM1A

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-20080214754-A1 DIENE POLYMER AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-04 US disclosed
US-20080214755-A1 OLEFIN-DIENE COPOLYMER AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-04 US disclosed