SCHEMBL22083349

SCHEMBL22083349

C=C(COC)C(=O)Oc1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)COC)cc3-c3ccc(-c4ccc(CCCC)cc4)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 3/20 0.43
▸ RARB P10826 10/20 0.40
▸ THRA P10827 1/20 0.39
▸ MAPT P10636 2/20 0.36
▸ RARA P10276 2/20 0.36
▸ MPL P40238 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ AKR1C1 Q04828 1/20 0.36
▸ MDH1 P40925 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PTPN11 Q06124 1/20 0.35
▸ POLQ O75417 1/20 0.35
▸ RARG P13631 1/20 0.35

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
SCHEMBL22083244 0.97 THRB (0.47) THRBRARBTHRAMAPTRARA
SCHEMBL22083248 0.92 THRB (0.43) THRBRARBTHRAMAPTRARA
SCHEMBL22083501 0.92 THRB (0.45) THRBRARBTHRAMAPTRARA
SCHEMBL22082218 0.92 THRB (0.40) THRBRARBTHRAMAPTMPL
SCHEMBL22083496 0.90 THRB (0.60) THRBRARBTHRAMAPTRARA
SCHEMBL21422424 0.87 THRB (0.56) THRBRARBTHRAMAPTRARA
SCHEMBL22082410 0.85 MAPT (0.39) THRBRARBMAPTMPLMDH1
SCHEMBL22459695 0.85 MTNR1A (0.39) THRBMAPTMEN1ALDH1A1KMT2A
SCHEMBL22083281 0.85 RARB (0.45) THRBRARBTHRAMAPTRARA
SCHEMBL22083306 0.85 THRB (0.39) THRBRARBTHRAMAPTRARA

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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