SCHEMBL17345566

SCHEMBL17345566

CC(N)C(=O)OCC(C)(C)C(=O)OCOC(=O)CC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 5/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ GRIN2C Q14957 1/20 0.33
▸ GRIN3A Q8TCU5 1/20 0.33
▸ PTPRC P08575 2/20 0.31
▸ APAF1 O14727 1/20 0.31
▸ MITF O75030 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL18730810 1.00 STAT3 (0.45) STAT3ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL17345459 0.89 STAT3 (0.50) STAT3ALDH1A1PTPRCAPAF1MITF
SCHEMBL17345574 0.88 STAT3 (0.48) STAT3ALDH1A1PTPRCAPAF1MITF
SCHEMBL17345458 0.87 STAT3 (0.51) STAT3ALDH1A1PTPRCAPAF1MITF
SCHEMBL18807122 0.86 STAT3 (0.50) STAT3ALDH1A1PTPRCAPAF1MITF
SCHEMBL17345430 0.85 STAT3 (0.51) STAT3ALDH1A1PTPRCAPAF1MITF
SCHEMBL18691818 0.85 STAT3 (0.53) STAT3ALDH1A1PTPRCAPAF1MITF
SCHEMBL17345471 0.84 STAT3 (0.52) STAT3ALDH1A1APAF1MITFLMNA
SCHEMBL18730828 0.84 STAT3 (0.52) STAT3ALDH1A1PTPRCAPAF1MITF
SCHEMBL17345493 0.82 STAT3 (0.50) STAT3ALDH1A1PTPRCAPAF1MITF

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-2015190489-A1 NOVEL ANTICANCER AGENT 京都薬品工業株式会社 2015-12-17 — — WO disclosed
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