SCHEMBL818063

SCHEMBL818063

CC(C)COC(=O)C1=CCCC(C)C=C1C(=O)OCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 2/20 0.35
ADORA2B P29275 4/20 0.34
MCL1 Q07820 1/20 0.34
ALOX12 P18054 1/20 0.34
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
MAPT P10636 1/20 0.33
CACNA1F O60840 2/20 0.33
CACNA1D Q01668 2/20 0.33
CACNA1S Q13698 2/20 0.33
CACNA1C Q13936 2/20 0.33
ADORA1 P30542 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
SCHEMBL817065 0.83 LMNA (0.38) ALDH1A1TSHRRAB9ANPC1HTT
SCHEMBL819104 0.83 ALDH1A1 (0.47) ALDH1A1TSHRRAB9ANPC1SMN1; SMN2
SCHEMBL818362 0.81 ALDH1A1 (0.40) ALDH1A1TSHRRAB9ANPC1SMN1; SMN2
SCHEMBL817062 0.80 ALDH1A1 (0.37) ALDH1A1TSHRADORA2BMAPT
SCHEMBL817707 0.79 TSHR (0.50) ALDH1A1TSHRRAB9ANPC1SMN1; SMN2
SCHEMBL819397 0.78 CHRM3 (0.35) ALDH1A1TSHRRAB9ANPC1SMN1; SMN2
SCHEMBL819046 0.77 TSHR (0.44) ALDH1A1TSHRRAB9ANPC1MAPT
SCHEMBL818206 0.76 TSHR (0.47) ALDH1A1TSHRRAB9ANPC1SMN1; SMN2
SCHEMBL818234 0.76 ALDH1A1 (0.46) ALDH1A1TSHRRAB9ANPC1MAPT
SCHEMBL818240 0.70 ALDH1A1 (0.47) ALDH1A1TSHRRAB9ANPC1SMN1; SMN2

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