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SCHEMBL10074503

SCHEMBL10074503

C=CC(=O)OC(COc1ccc(C2(c3ccc(OCC(COc4cccc5cc(OCC6CO6)ccc45)OC(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1)COc1ccc2c(OCC)cccc2c1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ PARP1 P09874 1/20 0.30

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
SCHEMBL10049667 0.96 PDK1 (0.32) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL10049662 0.83 ALDH1A1 (0.39) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL10049665 0.82 CYP2D6 (0.39) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL14546503 0.74 THRB (0.42) SMN1; SMN2
SCHEMBL25668997 0.73 PARP1 (0.31) PARP1
SCHEMBL16425356 0.72 THRB (0.40) TSHRSMN1; SMN2
SCHEMBL29592491 0.72 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL20560378 0.72 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL13017894 0.72 CYP2D6 (0.37) ALDH1A1
SCHEMBL13853215 0.72 THRB (0.40) SMN1; SMN2

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-20120041102-A1 NOVEL EPOXY RESIN AND EPOXY RESIN COMPOSITION COMPRISING THE SAME KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2012-02-16 — — US disclosed