SCHEMBL14148043

SCHEMBL14148043

CC(C)c1ccc(Cc2cc([C@@H]3OC(CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)c(F)c1F

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 20/20 0.61
▸ SLC5A1 P13866 7/20 0.60
▸ ADRA2A P08913 1/20 0.58
▸ SLC5A11 Q8WWX8 1/20 0.58

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
SCHEMBL13016175 1.00 SLC5A2 (0.61) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL12167336 0.88 SLC5A2 (0.71) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL12167569 0.87 SLC5A2 (0.64) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL13016185 0.85 SLC5A2 (0.63) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL13016162 0.85 SLC5A2 (0.68) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL13016169 0.84 SLC5A2 (0.66) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL13062803 0.84 SLC5A2 (0.61) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL14260937 0.84 SLC5A2 (0.61) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL13016194 0.84 SLC5A2 (0.61) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL13016193 0.83 SLC5A2 (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008090210-A1 METHODS FOR PREVENTING AND TREATING NEURODEGENERATIVE DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-31 — — WO disclosed
WO-2008034859-A1 GLUCOPYRANOSYL-SUBSTITUTED DIFLUOROBENZYL-BENZENE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-03-27 — — WO disclosed
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