SCHEMBL2047446

SCHEMBL2047446

C=CCC(CC=C)(C(=O)NC(C)C)C(=O)NC(C)C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
MMP1 P03956 2/20 0.35
MMP2 P08253 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
CA9 Q16790 1/20 0.35
MMP3 P08254 1/20 0.35
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
CCR2 P41597 1/20 0.31
MEN1 O00255 1/20 0.31
FAAH O00519 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL2050892 0.76 CYP2D6 (0.43) MMP1MMP2MMP8MMP3ALDH1A1
SCHEMBL2049096 0.76 MMP1 (0.34) TSHRMMP1MMP2MMP9MMP3
SCHEMBL25096855 0.74 MMP1 (0.37) TSHRMMP1MMP2CA12CA1
SCHEMBL2051968 0.72 SMN1; SMN2 (0.33) MMP1MMP2MMP3CCR2MEN1
SCHEMBL2052082 0.72 FAAH (0.32) TSHRMMP1MMP2MMP9MMP8
SCHEMBL2044114 0.69 CCR2 (0.31) CCR2
SCHEMBL2051319 0.69 MMP1 (0.36) MMP1MMP2MMP9MMP3ALDH1A1
SCHEMBL6831466 0.67 ALDH1A1 (0.38) TSHRALDH1A1
SCHEMBL18902166 0.67 SIGMAR1 (0.36) TSHRMMP1MMP2CA12CA1
SCHEMBL2608296 0.67

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