SCHEMBL14747295

SCHEMBL14747295

OC1O[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.52
NT5E P21589 1/20 0.51
TACR2 P21452 3/20 0.48
GJB2 P29033 1/20 0.47
SSTR1 P30872 1/20 0.47
SSTR2 P30874 1/20 0.47
SSTR4 P31391 1/20 0.47
SSTR3 P32745 1/20 0.47
SSTR5 P35346 1/20 0.47
PTPN1 P18031 7/20 0.46
CDC25B P30305 6/20 0.46
PTPN2 P17706 3/20 0.46
PTPN11 Q06124 3/20 0.46
PTPN6 P29350 2/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
PDE4D Q08499 1/20 0.45

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
SCHEMBL2562480 1.00 HTR1A (0.52) HTR1ANT5ETACR2GJB2SSTR1
SCHEMBL1562064 1.00 HTR1A (0.52) HTR1ANT5ETACR2GJB2SSTR1
SCHEMBL19745164 1.00 HTR1A (0.52) HTR1ANT5ETACR2GJB2SSTR1
SCHEMBL16727960 1.00 HTR1A (0.52) HTR1ANT5ETACR2GJB2SSTR1
SCHEMBL12896357 1.00 HTR1A (0.52) HTR1ANT5ETACR2GJB2SSTR1
SCHEMBL1561335 1.00 HTR1A (0.52) HTR1ANT5ETACR2GJB2SSTR1
SCHEMBL264552 1.00 HTR1A (0.52) HTR1ANT5ETACR2GJB2SSTR1
SCHEMBL5027926 1.00 HTR1A (0.52) HTR1ANT5ETACR2GJB2SSTR1
SCHEMBL1562065 1.00 HTR1A (0.52) HTR1ANT5ETACR2GJB2SSTR1
SCHEMBL20223437 1.00 HTR1A (0.52) HTR1ANT5ETACR2GJB2SSTR1

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
US-8389565-B2 Antidiabetic agents; controlling carbohydrate metabolism SIMON FRASER UNIVERSITY (CA) 2013-03-05 US disclosed