SCHEMBL12808188

SCHEMBL12808188

Bc1ccc(Cc2sccc2OC2OC(CO)C(F)C(O)C2O)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 15/20 0.40
▸ SLC5A1 P13866 9/20 0.39
▸ ACHE P22303 1/20 0.38
▸ TYR P14679 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PMP22 Q01453 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
SCHEMBL13088371 0.90 SLC5A2 (0.43) SLC5A2SLC5A1ACHE
SCHEMBL13088364 0.89 SLC5A2 (0.40) SLC5A2SLC5A1ACHETYRCYP1A2
SCHEMBL13088365 0.89 SLC5A2 (0.53) SLC5A2SLC5A1ACHE
SCHEMBL13088375 0.89 SLC5A2 (0.46) SLC5A2SLC5A1ACHE
SCHEMBL13088372 0.89 SLC5A2 (0.40) SLC5A2SLC5A1ACHETYRCYP1A2
SCHEMBL13088368 0.89 SLC5A2 (0.47) SLC5A2SLC5A1ACHE
SCHEMBL12808213 0.87 SLC5A2 (0.54) SLC5A2SLC5A1ACHE
SCHEMBL13088380 0.86 SLC5A2 (0.48) SLC5A2SLC5A1ACHE
SCHEMBL13098422 0.85 SLC5A2 (0.41) SLC5A2SLC5A1TYR
SCHEMBL13088373 0.85 SLC5A2 (0.41) SLC5A2SLC5A1TYR

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-2011039338-A2 USE OF COMPOUNDS WITH SGLT-1/SGLT-2 INHIBITOR ACTIVITY FOR PRODUCING MEDICAMENTS FOR TREATMENT OF BONE DISEASES SANOFI-AVENTIS (FR) 2011-04-07 — — WO disclosed
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