SCHEMBL818658

SCHEMBL818658

CC1=CCCC(C(=O)OCC(C)C)C(C(=O)OCC(C)C)=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TSHR P16473 1/20 0.38
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
MAPT P10636 1/20 0.36
CACNA1F O60840 4/20 0.35
CACNA1D Q01668 4/20 0.35
CACNA1S Q13698 4/20 0.35
CACNA1C Q13936 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ADORA2B P29275 4/20 0.34
ADORA1 P30542 1/20 0.34
MCL1 Q07820 1/20 0.34
ALOX12 P18054 1/20 0.34
GAA P10253 2/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL819340 0.83 TLR4 (0.39) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL819443 0.81 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL818061 0.80 ALDH1A1 (0.36) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL819729 0.78 L3MBTL1 (0.40) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL818660 0.77 ALDH1A1 (0.39) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL818445 0.77 TSHR (0.40) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL819318 0.77 KDM4E (0.36) ALDH1A1MAPTADORA2BGAAHSD17B10
SCHEMBL819482 0.76 ALDH1A1 (0.42) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL817269 0.75 ALDH1A1 (0.39) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL28369299 0.71 MAPT (0.43) ALDH1A1TSHRCHRM2CHRM4CHRM5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236908-B2 Components and catalysts for the polymerization of olefins SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-07 US disclosed
US-20110269927-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-03 US disclosed