SCHEMBL27868091

SCHEMBL27868091

C=CC(=O)C(O)CCOC(=O)CCC(=O)OCCC(O)C(=O)C=C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.36
ADRA1A P35348 1/20 0.36
MAPT P10636 2/20 0.35
BLM P54132 1/20 0.35
TSHR P16473 6/20 0.32
ALDH1A1 P00352 3/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
DGKA P23743 1/20 0.31

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
SCHEMBL5066937 0.82 MAPT (0.40) ADRA2AADRA1AMAPTBLMTSHR
SCHEMBL6347267 0.79 TSHR (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28014378 0.76 LMNA (0.36) MAPTBLMTSHRALDH1A1CYP3A4
SCHEMBL28108444 0.74 MAPT (0.50) MAPTTSHRALDH1A1CYP3A4TDP1
SCHEMBL27758308 0.74
SCHEMBL28150222 0.74 LMNA (0.35) MAPTBLMTSHRALDH1A1CYP3A4
SCHEMBL27994589 0.74 TSHR (0.46) MAPTTSHRALDH1A1HSD17B10DGKA
SCHEMBL28080699 0.73 TSHR (0.45) MAPTTSHRALDH1A1HSD17B10DGKA
SCHEMBL28017251 0.73 TSHR (0.45) MAPTTSHRALDH1A1HSD17B10DGKA
SCHEMBL27822920 0.72 ADRA2A (0.46) ADRA2AADRA1AMAPTBLMTSHR

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-102650829-A Coloring cured resin composite SUMITOMO CO LTD 2012-08-29 CN disclosed