SCHEMBL14301804

SCHEMBL14301804

CC(C)Oc1ccc(Cc2cc([C@@H]3O[C@H](CF)[C@@H](O)[C@H](O)C3O)ccc2Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 20/20 0.67
▸ SLC5A1 P13866 13/20 0.66
▸ ADRA2A P08913 1/20 0.63
▸ SLC5A11 Q8WWX8 1/20 0.63

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
SCHEMBL14108340 1.00 SLC5A2 (0.67) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL1713525 0.91 SLC5A2 (0.79) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL14108308 0.89 SLC5A2 (0.83) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL14108358 0.88 SLC5A2 (0.63) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL12782138 0.86 SLC5A2 (0.66) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL14065548 0.84 SLC5A2 (0.82) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL14108309 0.81 SLC5A2 (0.82) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL13062804 0.80 SLC5A2 (0.63) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL19662121 0.80 SLC5A2 (0.74) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL30626176 0.79 SLC5A2 (0.70) SLC5A2SLC5A1ADRA2ASLC5A11

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-1765842-B1 D-XYLOPYRANOSYL-SUBSTITUTED PHENYLS, MEDICAMENTS CONTAINING SAID COMPOUNDS, THE USE THEREOF, AND METHODS FOR PRODUCING THE SAME BOEHRINGER INGELHEIM INT (DE) 2008-01-09 — — EP disclosed
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