SCHEMBL28829326

SCHEMBL28829326

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
ALDH1A1 P00352 4/20 0.39
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 2/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
PTGS1 P23219 1/20 0.34
APEX1 P27695 1/20 0.34
THPO P40225 1/20 0.34

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
SCHEMBL28829329 0.93 ALDH1A1 (0.41) TSHRALDH1A1CHRM2CHRM4CHRM5
SCHEMBL1196147 0.84 TSHR (0.34) TSHRALDH1A1CHRM2CHRM4CHRM5
SCHEMBL1297720 0.81 TSHR (0.45) TSHRALDH1A1CHRM2CHRM4CHRM5
SCHEMBL1196002 0.80 CA1 (0.42) TSHRALDH1A1CHRM2CHRM4CHRM5
SCHEMBL27296220 0.79 TSHR (0.43) TSHRALDH1A1CHRM2CHRM4CHRM5
SCHEMBL11341808 0.79 ALDH1A1 (0.44) TSHRALDH1A1MAPTHSD17B10KDM4E
SCHEMBL11324012 0.79 ALDH1A1 (0.44) TSHRALDH1A1MAPTHSD17B10KDM4E
SCHEMBL17106240 0.78 PDK1 (0.37) TSHRALDH1A1CHRM2CHRM4CHRM5
SCHEMBL1196437 0.77 CHRM2 (0.35) TSHRALDH1A1CHRM2CHRM4CHRM5
SCHEMBL1196507 0.76 TSHR (0.37) TSHRALDH1A1CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105504110-A Preparation method of catalyst solid component for olefin polymerization SHENHUA GROUP CORP LTD 2016-04-20 CN disclosed