SCHEMBL28296507

SCHEMBL28296507

COc1cc(CC(C(=O)C(Cc2ccc(O)c(OC)c2)c2ccc(O)cc2O)c2ccc(O)cc2O)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOS P01100 1/20 0.55
TTR P02766 1/20 0.55
JUN P05412 1/20 0.55
NR3C1 P04150 1/20 0.55
HSD17B1 P14061 1/20 0.55
HSD17B2 P37059 1/20 0.55
MMP1 P03956 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51
PTPN1 P18031 2/20 0.50
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
NFKB1 P19838 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAOB P27338 1/20 0.49
BCHE P06276 1/20 0.47
TYR P14679 1/20 0.47
ACHE P22303 1/20 0.47

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
SCHEMBL28050423 0.87 PTPN1 (0.51) CYP3A4PTPN1TSHRALDH1A1GAA
SCHEMBL8590391 0.81 ESR1 (0.49) TTRCYP3A4TSHRALDH1A1GAA
SCHEMBL27705662 0.77 ALOX15 (0.51) FOSTTRJUNNR3C1HSD17B1
SCHEMBL28100180 0.77 BCHE (0.48) MAOBBCHETYRACHE
SCHEMBL28230014 0.76 PTPN1 (0.57) CYP3A4PTPN1TSHRALDH1A1GAA
SCHEMBL27886551 0.76 NPC1 (0.50) ALOX12ALDH1A1GAAMAOBLMNA
SCHEMBL28761809 0.76 MAPT (0.47) CYP3A4MAOBMAPK1LMNA
SCHEMBL2973201 0.75 ALOX15 (0.55) FOSTTRJUNNR3C1HSD17B1
SCHEMBL29684225 0.75 ADRB2 (0.58) PTPN1TSHRMAOBTAAR1MAPK1
SCHEMBL2969158 0.75 ADRB2 (0.58) PTPN1TSHRMAOBTAAR1MAPK1

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-109820126-A Beverage comprising rare sugar 可口可乐公司 2019-05-31 CN disclosed