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SCHEMBL13953725

SCHEMBL13953725

Cc1cc(O)c(C(=O)CCc2ccc3occc3c2)c(OC(OC(C)C)C(O)C(O)CO)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 15/20 0.58
▸ SLC5A1 P13866 15/20 0.58
▸ CYP19A1 P11511 1/20 0.35
▸ CTNNB1 P35222 2/20 0.34
▸ WNT3A P56704 2/20 0.34
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33

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
SCHEMBL13677629 0.88 SLC5A2 (0.57) SLC5A2SLC5A1CYP19A1CTNNB1WNT3A
SCHEMBL13554620 0.88 SLC5A2 (0.55) SLC5A2SLC5A1CYP19A1CTNNB1WNT3A
SCHEMBL1682184 0.78 SLC5A1 (0.63) SLC5A2SLC5A1CYP19A1CTNNB1WNT3A
SCHEMBL3411626 0.76 SLC5A2 (0.63) SLC5A2SLC5A1CYP19A1CTNNB1WNT3A
SCHEMBL14104531 0.73 SLC5A1 (1.00) SLC5A2SLC5A1
SCHEMBL7581216 0.73 SLC5A1 (1.00) SLC5A2SLC5A1
SCHEMBL6725644 0.73 SLC5A1 (1.00) SLC5A2SLC5A1
SCHEMBL30268946 0.73 SLC5A1 (1.00) SLC5A2SLC5A1
SCHEMBL13953727 0.72 SLC5A1 (0.83) SLC5A2SLC5A1
SCHEMBL12808039 0.71 SLC5A1 (0.86) 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
EP-1381361-B1 COMBINATION THERAPY COMPRISING GLUCOSE REABSORPTION INHIBITORS AND PPAR MODULATORS ORTHO MCNEIL JANSSEN PHARM (US) 2009-02-25 — — EP disclosed
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