SCHEMBL12801960

SCHEMBL12801960

O=C1CC2(CCCC2)Oc2ccc(Cc3cc(C4CC(O)C[C@@H](CO)O4)ccc3Cl)cc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 15/20 0.39
KDM4E B2RXH2 3/20 0.39
ATM Q13315 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.38
SLC5A1 P13866 2/20 0.37
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL15030923 0.81 SLC5A2 (0.62) SLC5A2SLC5A1
SCHEMBL10177086 0.81 SLC5A2 (0.62) SLC5A2SLC5A1
SCHEMBL12167206 0.77 SLC5A2 (0.57) SLC5A2SLC5A1
SCHEMBL18466637 0.77 SLC5A2 (0.47) SLC5A2SLC5A1
SCHEMBL18466598 0.77 SLC5A2 (0.44) SLC5A2SLC5A1
SCHEMBL18466501 0.77 SLC5A2 (0.44) SLC5A2SLC5A1
SCHEMBL12167222 0.76 SLC5A2 (0.47) SLC5A2SLC5A1
SCHEMBL12167159 0.76 SLC5A2 (0.53) SLC5A2SLC5A1
SCHEMBL17969817 0.76 SLC5A2 (0.49) SLC5A2SLC5A1
SCHEMBL17969845 0.75 SLC5A2 (0.47) SLC5A2SLC5A1

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
WO-2011048112-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2011-04-28 WO disclosed