SCHEMBL14747271

SCHEMBL14747271

OCC1O[C@@H](c2ccccc2)OC[C@@H]1O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
SLC5A2 P31639 4/20 0.40
TSHR P16473 1/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 2/20 0.37
MAPT P10636 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
PDE4D Q08499 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
SCHEMBL756260 1.00 MEN1 (0.43) MEN1KMT2AL3MBTL1SLC5A2TSHR
SCHEMBL14747265 1.00 MEN1 (0.43) MEN1KMT2AL3MBTL1SLC5A2TSHR
SCHEMBL6654208 1.00 MEN1 (0.43) MEN1KMT2AL3MBTL1SLC5A2TSHR
SCHEMBL18922697 0.87 MEN1 (0.41) MEN1KMT2AL3MBTL1TSHRCYP2C19
SCHEMBL15918074 0.86 MEN1 (0.44) MEN1KMT2AL3MBTL1SLC5A2CYP2C19
SCHEMBL20019604 0.83 MEN1 (0.43) MEN1KMT2AL3MBTL1TSHRCYP2C19
SCHEMBL12137914 0.82 MEN1 (0.42) MEN1KMT2AL3MBTL1SLC5A2TSHR
SCHEMBL31728387 0.82 MEN1 (0.42) MEN1KMT2AL3MBTL1SLC5A2TSHR
SCHEMBL10580919 0.79 MEN1 (0.40) MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL7145818 0.79 MEN1 (0.38) MEN1KMT2AL3MBTL1TSHRCYP2C19

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