SCHEMBL17480482

SCHEMBL17480482

OC[C@@H]1C[C@H](O)[C@@H](O)C(c2cccc(Cc3cc4ccccc4s3)c2)O1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 19/20 0.69
SLC5A1 P13866 2/20 0.47
CHRM1 P11229 1/20 0.47
ADRA1A P35348 1/20 0.47
SLC6A3 Q01959 1/20 0.47
CYP2A6 P11509 1/20 0.40

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
SCHEMBL17480490 0.89 SLC5A2 (0.54) SLC5A2SLC5A1CHRM1ADRA1ASLC6A3
SCHEMBL12662721 0.86 SLC5A2 (0.50) SLC5A2SLC5A1CHRM1ADRA1ASLC6A3
SCHEMBL17480536 0.83 SLC5A2 (0.56) SLC5A2SLC5A1CHRM1ADRA1ASLC6A3
SCHEMBL17480497 0.82 SLC5A2 (0.70) SLC5A2
SCHEMBL17189371 0.82 SLC5A2 (0.70) SLC5A2SLC5A1CHRM1ADRA1ASLC6A3
SCHEMBL19620432 0.82 SLC5A2 (0.70) SLC5A2SLC5A1CHRM1ADRA1ASLC6A3
SCHEMBL17623853 0.82 SLC5A2 (0.70) SLC5A2SLC5A1CHRM1ADRA1ASLC6A3
SCHEMBL12662714 0.81 SLC5A2 (1.00) SLC5A2SLC5A1CHRM1ADRA1ASLC6A3
SCHEMBL147718 0.81 SLC5A2 (1.00) SLC5A2SLC5A1CHRM1ADRA1ASLC6A3
SCHEMBL220972 0.81 SLC5A2 (1.00) SLC5A2SLC5A1CHRM1ADRA1ASLC6A3

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
EP-1609785-B1 C-GLYCOSIDE DERIVATIVES AND SALTS THEREOF ASTELLAS PHARMA INC (JP) 2016-02-03 EP disclosed