SCHEMBL28294685

SCHEMBL28294685

COc1c(O)ccc(-c2ccc(O)c(C)c2)c1-c1ccc(O)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.49
GAA P10253 2/20 0.49
SI P14410 2/20 0.49
MGAM2 Q2M2H8 2/20 0.49
TLR8 Q9NR97 4/20 0.46
HSD17B1 P14061 2/20 0.42
HSD17B2 P37059 2/20 0.42
ESR2 Q92731 2/20 0.41
ESR1 P03372 1/20 0.41
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAOA P21397 1/20 0.39
PDE4B Q07343 3/20 0.38
PDE4A P27815 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
FYN P06241 1/20 0.38
HSP90AA1 P07900 1/20 0.38

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
Ethane SCHEMBL28294690 0.98 MGAM (0.48) MGAMGAASIMGAM2TLR8
SCHEMBL8417989 0.81 HSD17B1 (0.43) MGAMGAASIMGAM2TLR8
SCHEMBL16195323 0.79 HSD17B1 (0.44) TLR8HSD17B1HSD17B2ESR2ESR1
SCHEMBL28767349 0.78 TLR8 (0.58) TLR8HSD17B1HSD17B2ESR2ESR1
Ethane SCHEMBL27714634 0.76 TLR8 (0.59) GAATLR8HSD17B1HSD17B2ESR2
SCHEMBL2031812 0.75 TLR8 (0.55) TLR8HSD17B1HSD17B2ESR2ESR1
SCHEMBL6699314 0.73 HSD17B1 (0.53) TLR8HSD17B1HSD17B2ESR2ESR1
SCHEMBL20056693 0.72 HSD17B1 (0.48) TLR8HSD17B1HSD17B2ESR2ESR1
SCHEMBL23496933 0.72 TLR8 (0.52) TLR8HSD17B1HSD17B2ESR2FYN
SCHEMBL30719599 0.72 TLR8 (0.52) TLR8HSD17B1HSD17B2ESR2FYN

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-106916180-B Polyphenol compound, Preparation method and use 广东生益科技股份有限公司 2019-04-30 CN claimed