SCHEMBL19982679

SCHEMBL19982679

Bc1cc(CP(=O)(N[C@@H](C)C(=O)OCC)N[C@@H](C)C(=O)OCC)cc(Br)c1Oc1ccc(O)c(C(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
THRA P10827 18/20 0.60
THRB P10828 18/20 0.60

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
SCHEMBL13044668 0.94 THRA (0.67) THRATHRB
SCHEMBL13381848 0.83 THRA (0.67) THRATHRB
SCHEMBL3738045 0.81 THRA (0.64) THRATHRB
SCHEMBL21565943 0.80 THRA (0.53) THRATHRB
SCHEMBL13855347 0.78 THRA (0.74) THRATHRB
SCHEMBL13399263 0.76 THRA (0.79) THRATHRB
SCHEMBL7070768 0.76 THRA (0.76) THRATHRB
SCHEMBL13381819 0.76 THRB (0.67) THRATHRB
SCHEMBL287727 0.76 THRA (1.00) THRATHRB
SCHEMBL13703150 0.75 THRA (0.53) THRATHRB

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-2018053036-A1 METHOD OF REDUCING THYROID-ASSOCIATED SIDE EFFECTS VIKING THERAPEUTICS, INC. (US) 2018-03-22 WO disclosed