SCHEMBL13822945

SCHEMBL13822945

O=C(O)OC1OC(c2ccc(Cl)c(Cc3ccc(-c4ccc(F)nc4)s3)c2)C(O)C(O)C1O

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 19/20 0.71
SLC5A1 P13866 3/20 0.71
ABCB11 O95342 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45

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
SCHEMBL3578722 0.87 SLC5A2 (0.75) SLC5A2SLC5A1ABCB11ADORA3SLC6A4
SCHEMBL13896555 0.87 SLC5A2 (0.75) SLC5A2SLC5A1ABCB11ADORA3SLC6A4
SCHEMBL156012 0.83 SLC5A2 (1.00) SLC5A2SLC5A1ABCB11ADORA3SLC6A4
SCHEMBL12714462 0.83 SLC5A2 (1.00) SLC5A2SLC5A1ABCB11ADORA3SLC6A4
SCHEMBL8628471 0.83 SLC5A2 (1.00) SLC5A2SLC5A1ABCB11ADORA3SLC6A4
SCHEMBL13468780 0.83 SLC5A2 (1.00) SLC5A2SLC5A1ABCB11ADORA3SLC6A4
SCHEMBL8587960 0.83 SLC5A2 (1.00) SLC5A2SLC5A1ABCB11ADORA3SLC6A4
SCHEMBL17772218 0.83 SLC5A2 (1.00) SLC5A2SLC5A1ABCB11ADORA3SLC6A4
SCHEMBL22783104 0.83 SLC5A2 (1.00) SLC5A2SLC5A1ABCB11ADORA3SLC6A4
SCHEMBL6343834 0.82 SLC5A2 (0.75) SLC5A2SLC5A1ABCB11ADORA3SLC6A4

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-2099791-B1 THIENYL-CONTAINING GLYCOPYRANOSYL DERIVATIVES AS ANTIDIABETICS JANSSEN PHARMACEUTICA NV (BE) 2012-11-21 EP claimed