SCHEMBL14747307

SCHEMBL14747307

c1ccc(COCC2O[C@H](c3ccccc3)OC[C@H]2OCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.46
BCHE P06276 2/20 0.44
ACHE P22303 1/20 0.44
PDE4D Q08499 1/20 0.44
HTR1A P08908 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TSHR P16473 1/20 0.36
GJB2 P29033 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
SCHEMBL5100543 1.00 SLC6A2 (0.46) SLC6A2BCHEACHEPDE4DHTR1A
SCHEMBL21964247 0.85 SLC6A2 (0.49) SLC6A2BCHEPDE4DL3MBTL1TSHR
SCHEMBL7720184 0.82 BCHE (0.49) SLC6A2BCHEL3MBTL1
SCHEMBL18689878 0.82 BCHE (0.49) SLC6A2BCHEL3MBTL1
SCHEMBL10592401 0.80 TSHR (0.48) SLC6A2BCHEACHEPDE4DHTR1A
SCHEMBL21874108 0.80 L3MBTL1 (0.35) SLC6A2BCHEPDE4DL3MBTL1
SCHEMBL14432278 0.78 REN (0.41) SLC6A2GJB2
SCHEMBL22316285 0.78 BCHE (0.55) SLC6A2BCHEACHEPDE4DHTR1A
SCHEMBL13446337 0.78 BCHE (0.55) SLC6A2BCHEACHEPDE4DHTR1A
SCHEMBL19380966 0.78 BCHE (0.55) SLC6A2BCHEACHEPDE4DHTR1A

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