SCHEMBL23635452

SCHEMBL23635452

C=CC(=O)N(C)CCOc1ccc2c(ccc3cc(CCCCC)ccc32)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 5/20 0.48
▸ THRA P10827 5/20 0.43
▸ CYP2D6 P10635 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL19853988 0.94 THRB (0.50) THRBTHRACYP2D6KDM4EALDH1A1
SCHEMBL19855425 0.87 THRB (0.47) THRBTHRAALDH1A1MEN1KMT2A
SCHEMBL19855381 0.86 THRA (0.57) THRBTHRAKDM4EALDH1A1
SCHEMBL19855365 0.85 THRB (0.56) THRBTHRAALDH1A1MEN1KMT2A
SCHEMBL19854449 0.84 THRB (0.43) THRBTHRACYP2D6
SCHEMBL19855896 0.83 THRB (0.54) THRBTHRAALDH1A1MEN1KMT2A
SCHEMBL19855335 0.82 THRB (0.52) THRBTHRAMEN1KMT2A
SCHEMBL19855422 0.81 THRB (0.43) THRBTHRACYP2D6MEN1KMT2A
SCHEMBL23635445 0.80 THRB (0.49) THRBTHRACYP2D6ALDH1A1
SCHEMBL23635440 0.80 THRB (0.46) THRBTHRAKDM4EALDH1A1MEN1

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
US-20210214615-A1 LIQUID CRYSTAL DISPLAY DEVICE AND DISPLAY UNIT JNC CORPORATION (JP) 2021-07-15 — — US disclosed
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