SCHEMBL2045115

SCHEMBL2045115

C=CCC1(CC=C)C(=O)N(CCCC)N(CCCC)C1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 1/20 0.42
MMP9 P14780 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
RGS4 P49798 2/20 0.31
RGS8 P57771 1/20 0.31
TYR P14679 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL2050946 0.93 CPT1A (0.47) CPT1ASMN1; SMN2TP53TSHRALDH1A1
SCHEMBL2049720 0.89 CPT1A (0.37) CPT1AMMP9
SCHEMBL2045687 0.82 CPT1A (0.40) CPT1ASMN1; SMN2GAATP53
SCHEMBL2047149 0.80 CPT1A (0.36) CPT1AMMP9
SCHEMBL2047441 0.76 CPT1A (0.44) CPT1ATSHR
SCHEMBL2047416 0.76 CPT1A (0.34) CPT1AMMP9
SCHEMBL2050980 0.74 CPT1A (0.36) CPT1AMMP9
SCHEMBL2050370 0.73 CPT1A (0.36) CPT1ATSHRALDH1A1
SCHEMBL2050371 0.73 CPT1A (0.36) CPT1ATSHRALDH1A1
SCHEMBL21176644 0.73 SMN1; SMN2 (0.56) CPT1AMMP9SMN1; SMN2ALDH1A1TDP1

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 4 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
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