SCHEMBL22083244

SCHEMBL22083244

C=C(COC)C(=O)Oc1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)COC)cc3-c3ccc(CCCCC)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 4/20 0.47
▸ THRA P10827 2/20 0.43
▸ RARB P10826 11/20 0.42
▸ MAPT P10636 2/20 0.41
▸ RARA P10276 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ RARG P13631 1/20 0.39
▸ PTPN11 Q06124 1/20 0.37
▸ MDH1 P40925 1/20 0.37

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
SCHEMBL22083349 0.97 THRB (0.43) THRBTHRARARBMAPTRARA
SCHEMBL22083248 0.95 THRB (0.43) THRBTHRARARBMAPTRARA
SCHEMBL22083501 0.95 THRB (0.45) THRBTHRARARBMAPTRARA
SCHEMBL22083496 0.93 THRB (0.60) THRBTHRARARBMAPTRARA
SCHEMBL21422424 0.91 THRB (0.56) THRBTHRARARBMAPTRARA
SCHEMBL22082218 0.89 THRB (0.40) THRBTHRARARBMAPTSMN1; SMN2
SCHEMBL22083281 0.88 RARB (0.45) THRBTHRARARBMAPTRARA
SCHEMBL22083063 0.88 MEN1 (0.41) THRBRARBMEN1ALDH1A1KMT2A
SCHEMBL22083056 0.88 MEN1 (0.41) THRBRARBMEN1ALDH1A1KMT2A
SCHEMBL22083057 0.86 RARB (0.39) THRBTHRARARBMAPTRARA

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-2020116380-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC株式会社 2020-06-11 — — WO disclosed
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