SCHEMBL1551779

SCHEMBL1551779

CO[C@@]1(c2ccc(Cl)c(Cc3ccc(C4CC4)cc3)c2)O[C@H](CO)[C@@H](O)C(O)C1O

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 20/20 0.58
SLC5A1 P13866 14/20 0.58
ADRA2A P08913 1/20 0.46
SLC5A11 Q8WWX8 1/20 0.46

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
SCHEMBL1551453 1.00 SLC5A2 (0.58) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL3798505 1.00 SLC5A2 (0.58) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL13083163 1.00 SLC5A2 (0.58) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL18466486 0.95 SLC5A2 (0.53) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL15680698 0.94 SLC5A2 (0.52) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL15680868 0.92 SLC5A2 (0.50) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL3684426 0.90 SLC5A2 (0.47) SLC5A2SLC5A1
SCHEMBL3680743 0.90 SLC5A2 (0.47) SLC5A2SLC5A1
SCHEMBL15680703 0.90 SLC5A2 (0.51) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL15680798 0.89 SLC5A2 (0.50) 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
EP-2312944-A1 DEUTERATED BENZYLBENZENE DERIVATIVES AND METHODS OF USE Theracos, Inc. (US) 2011-04-27 EP disclosed
WO-2010009243-A1 DEUTERATED BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2010-01-21 WO disclosed