SCHEMBL28050423

SCHEMBL28050423

COc1cc(CCC(C(=O)C(CCc2ccc(O)c(OC)c2)c2ccc(O)cc2O)c2ccc(O)cc2O)ccc1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.51
ALOX5 P09917 1/20 0.51
OR51E2 Q9H255 1/20 0.51
ADRB2 P07550 2/20 0.51
HTR1A P08908 2/20 0.51
TAAR1 Q96RJ0 2/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2C8 P10632 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2B6 P20813 3/20 0.48
CYP2C19 P33261 3/20 0.48
GAA P10253 2/20 0.48
POLB P06746 1/20 0.48
LTA4H P09960 1/20 0.48
TRPV1 Q8NER1 1/20 0.48

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
SCHEMBL28296507 0.87 FOS (0.55) PTPN1ALOX5OR51E2TAAR1TSHR
SCHEMBL28230014 0.87 PTPN1 (0.57) PTPN1ALOX5OR51E2ADRB2HTR1A
SCHEMBL29684225 0.83 ADRB2 (0.58) PTPN1ADRB2HTR1ATAAR1TSHR
SCHEMBL2969158 0.83 ADRB2 (0.58) PTPN1ADRB2HTR1ATAAR1TSHR
SCHEMBL2970029 0.75 STAT3 (0.57) ADRB2TSHRLMNACYP3A4ALDH1A1
SCHEMBL29684134 0.75 STAT3 (0.57) ADRB2TSHRLMNACYP3A4ALDH1A1
SCHEMBL18986201 0.75 KMT2A (0.52) ALOX5OR51E2MAPK1GAA
SCHEMBL8946856 0.74 TAAR1 (0.68) PTPN1ALOX5OR51E2ADRB2HTR1A
SCHEMBL8294109 0.73 TAAR1 (0.67) PTPN1ALOX5OR51E2ADRB2HTR1A
SCHEMBL30509134 0.73 ADRB2 (0.62) PTPN1ALOX5OR51E2ADRB2HTR1A

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
CN-109820126-A Beverage comprising rare sugar 可口可乐公司 2019-05-31 CN disclosed
CN-105188421-A Beverage containing rare sugar COCA COLA CO 2015-12-23 CN disclosed