SCHEMBL3723769

SCHEMBL3723769

C#Cc1ccc(OCCC)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 17/20 0.44
PDK2 Q15119 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
PTPN7 P35236 1/20 0.39
DUSP3 P51452 1/20 0.39
PGR P06401 1/20 0.38

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
SCHEMBL3205597 0.85 AR (0.60) ARPGR
SCHEMBL19649433 0.84 PDK2 (0.46) PDK2THRATHRBPTPN7DUSP3
SCHEMBL32689475 0.79 AR (0.54) ARPGR
SCHEMBL12778374 0.78 PDK2 (0.43) PDK2THRATHRBPTPN7DUSP3
SCHEMBL27336912 0.76 PPARG (0.54) PDK2THRATHRBPTPN7DUSP3
SCHEMBL26155371 0.76 ACACB (0.46) THRATHRB
SCHEMBL10352007 0.76 MAPT (0.48) PDK2THRATHRBPTPN7DUSP3
SCHEMBL3718454 0.76 PDK2 (0.43) PDK2THRATHRBPTPN7DUSP3
SCHEMBL10187263 0.74 PTGS1 (0.42)
SCHEMBL14619305 0.74 AR (0.55) ARTHRB

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
WO-2010081149-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLAXOSMITHKLINE LLC (US) 2010-07-15 WO disclosed