SCHEMBL20124643

SCHEMBL20124643

OCC1CC(O)C[C@@H](c2ccc(Cl)c(Cc3ccc(OCC#CC4CC4)cc3)c2)O1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 19/20 0.66
SLC5A1 P13866 14/20 0.46
ADRA2A P08913 1/20 0.44
SLC5A11 Q8WWX8 1/20 0.44

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
SCHEMBL13082540 1.00 SLC5A2 (0.66) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL15368222 1.00 SLC5A2 (0.66) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL20124652 1.00 SLC5A2 (0.66) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL20124700 0.90 SLC5A2 (0.53) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL10212406 0.84 SLC5A2 (0.54) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL23801707 0.84 SLC5A2 (0.61) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL18536366 0.84 SLC5A2 (0.61) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL17073871 0.84 SLC5A2 (0.61) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL20892302 0.84 SLC5A2 (0.61) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL17189186 0.84 SLC5A2 (0.61) 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-3318562-A2 BENZYLBENZENE DERIVATIVES AND METHODS OF USE Theracos Sub, LLC (US) 2018-05-09 EP disclosed