SCHEMBL817439

SCHEMBL817439

CC(C)COC(=O)C1=CC=CC=CC1C(=O)OCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 4/20 0.41
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
CACNA1F O60840 3/20 0.33
CACNA1D Q01668 3/20 0.33
CACNA1S Q13698 3/20 0.33
CACNA1C Q13936 3/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ADORA2B P29275 1/20 0.32
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
GAPDH P04406 1/20 0.32
HSPA1A P0DMV8 1/20 0.32

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
SCHEMBL818971 0.82 ALDH1A1 (0.39) ALDH1A1TSHRCACNA1FCACNA1DCACNA1S
SCHEMBL817874 0.80 TSHR (0.37) ALDH1A1TSHRTDP1KDM4E
SCHEMBL818604 0.80 TSHR (0.40) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL818575 0.79 ALDH1A1 (0.39) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL27496718 0.74 TSHR (0.38) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL818284 0.72 ALDH1A1 (0.38) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL818660 0.70 ALDH1A1 (0.39) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL6316280 0.70 TSHR (0.41) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL817269 0.65 ALDH1A1 (0.39) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL6317573 0.65 TSHR (0.37) 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