SCHEMBL816941

SCHEMBL816941

CC(C)COC(=O)C1=C(C(=O)OCC(C)C)CC(C)CC=C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
TSHR P16473 3/20 0.43
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
GAA P10253 2/20 0.34
TP53 P04637 2/20 0.34
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
GAPDH P04406 1/20 0.33
HSPA1A P0DMV8 1/20 0.33
PTPN7 P35236 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
MAPT P10636 4/20 0.33
HTT P42858 3/20 0.33
NPC1 O15118 3/20 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
SCHEMBL817155 0.80 TSHR (0.44) ALDH1A1TSHRTP53HSD17B10SMN1; SMN2
SCHEMBL817219 0.78 ALDH1A1 (0.35) ALDH1A1TSHRHSD17B10MAPTNPC1
SCHEMBL817610 0.78 TSHR (0.40) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL817111 0.77 ALDH1A1 (0.47) ALDH1A1TSHRTP53HSD17B10MAPT
SCHEMBL818541 0.76 NPSR1 (0.32) ALDH1A1TSHRTP53HSD17B10SMN1; SMN2
SCHEMBL818805 0.74 ALDH1A1 (0.45) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL817653 0.74 TSHR (0.55) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL818057 0.73 ALDH1A1 (0.41) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL818845 0.69 TSHR (0.49) ALDH1A1TSHRTP53SMN1; SMN2MAPT
SCHEMBL818206 0.68 TSHR (0.47) ALDH1A1TSHRSMN1; SMN2MAPTHTT

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