SCHEMBL9746210

SCHEMBL9746210

CO[C@]1(COCc2ccccc2)O[C@H](CO)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.40
SLC6A2 P23975 1/20 0.37
PDPK1 O15530 1/20 0.36
MTOR P42345 1/20 0.36
TACR2 P21452 1/20 0.36
TSHR P16473 2/20 0.36
CYP2C19 P33261 1/20 0.36
SSTR1 P30872 1/20 0.35
SSTR2 P30874 1/20 0.35
SSTR4 P31391 1/20 0.35
SSTR3 P32745 1/20 0.35
SSTR5 P35346 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
HTT P42858 1/20 0.34
LGALS8 O00214 1/20 0.34
GYPA P02724 1/20 0.34
TACR1 P25103 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
SCHEMBL9745132 1.00 PDE4D (0.40) PDE4DSLC6A2PDPK1MTORTACR2
SCHEMBL9745138 0.88 SSTR5 (0.37) PDPK1MTORTACR2TSHRSSTR1
SCHEMBL9745158 0.82 PDE4D (0.39) PDE4DSLC6A2TSHRHTTLGALS8
SCHEMBL9745489 0.82 PDE4D (0.39) PDE4DSLC6A2TSHRHTTLGALS8
SCHEMBL10408088 0.81 PDE4D (0.40) PDE4DSLC6A2PDPK1MTORTACR2
SCHEMBL10408089 0.81 PDE4D (0.40) PDE4DSLC6A2PDPK1MTORTACR2
SCHEMBL10438659 0.80 SLC6A2 (0.39) PDE4DSLC6A2PDPK1MTORTACR2
SCHEMBL3799553 0.79 PTPN1 (0.40) TACR2SSTR1SSTR2SSTR4SSTR3
SCHEMBL3799547 0.79 PTPN1 (0.40) TACR2SSTR1SSTR2SSTR4SSTR3
SCHEMBL10408384 0.76 SLC6A2 (0.41) PDE4DSLC6A2PDPK1MTORTACR2

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
US-5106967-A Esterified 5-C-hydroxymethyl hexose; bonding to mono- and disaccharides; foods, baked goods, beverages THE PROCTER & GAMBLE COMPANY (US) 1992-04-21 US disclosed
EP-0341062-A2 Functional sugar substitutes with reduced calories THE PROCTER & GAMBLE COMPANY (US) 1989-11-08 EP disclosed