SCHEMBL7124400

SCHEMBL7124400

CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc(O)c(CN(Cc3ccccc3)C(C)C)c2)c(C)c1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRA P10827 8/20 0.54
THRB P10828 8/20 0.54
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL7025061 0.91 THRA (0.60) THRATHRB
SCHEMBL6658103 0.85 THRA (0.58) THRATHRB
SCHEMBL7057569 0.84 THRB (0.41) THRATHRB
SCHEMBL6664392 0.83 THRA (0.60) THRATHRB
SCHEMBL6658666 0.80 THRA (0.59) THRATHRB
SCHEMBL6660253 0.79 THRA (0.56) THRATHRB
SCHEMBL6658101 0.79 THRA (0.58) THRATHRB
SCHEMBL7057567 0.78 THRB (0.38) THRATHRB
SCHEMBL8798722 0.78 THRA (0.76) THRATHRB
SCHEMBL6661578 0.77 THRA (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307426-A1 AMINO DIPHENYL ETHERS AND AMIDO DIPHENYL ETHERS Bayer Aktiengesellschaft (DE) 2003-05-07 EP disclosed
WO-2002012169-A1 AMINO DIPHENYL ETHERS AND AMIDO DIPHENYL ETHERS BAYER AKTIENGESELLSCHAFT (DE) 2002-02-14 WO disclosed