SCHEMBL14747303

SCHEMBL14747303

COc1ccc(COC[C@@H]2OC(C)[C@@H](OCc3ccc(OC)cc3)[C@@H]2OCc2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 2/20 0.47
GJA1 P17302 1/20 0.47
SSTR1 P30872 1/20 0.40
SSTR2 P30874 1/20 0.40
SSTR4 P31391 1/20 0.40
SSTR3 P32745 1/20 0.40
SSTR5 P35346 1/20 0.40
IDO1 P14902 2/20 0.39
AGXT P21549 2/20 0.39
HTR1A P08908 1/20 0.39
APP P05067 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TACR2 P21452 1/20 0.37
NT5E P21589 1/20 0.36
TACR1 P25103 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL5027889 0.85 GJB2 (0.51) GJB2GJA1SSTR1SSTR2SSTR4
SCHEMBL5027888 0.85 GJB2 (0.51) GJB2GJA1SSTR1SSTR2SSTR4
SCHEMBL20010200 0.84 HTR1A (0.52) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL18896703 0.84 HTR1A (0.52) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL21283070 0.84 HTR1A (0.52) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL23744216 0.84 HTR1A (0.52) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL20404663 0.84 HTR1A (0.52) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL1262772 0.84 HTR1A (0.52) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL17267497 0.84 GJB2 (0.46) GJB2GJA1SSTR1SSTR2SSTR4
SCHEMBL17267495 0.84 GJB2 (0.46) GJB2GJA1SSTR1SSTR2SSTR4

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