SCHEMBL4745594

SCHEMBL4745594

COCCOCCOCCOc1cccc(-c2c3nc(cc4ccc([nH]4)c(-c4cccc(OCCOCCOCCOC)c4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.52
▸ STAT1 P42224 1/20 0.52
▸ HDAC6 Q9UBN7 2/20 0.35
▸ TERT O14746 3/20 0.34
▸ MAOA P21397 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ CHEK2 O96017 1/20 0.34
▸ AURKA O14965 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ DYRK3 O43781 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ CSNK2A1 P68400 1/20 0.32
▸ PKN2 Q16513 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ BRSK1 Q8TDC3 1/20 0.32

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
SCHEMBL6711729 0.91 STAT3 (0.49) STAT3STAT1TERTMAOADYRK1A
SCHEMBL1854874 0.84 STAT3 (0.55) STAT3STAT1HDAC6TERTCHEK2
SCHEMBL585272 0.84 STAT3 (0.55) STAT3STAT1HDAC6MAOACHEK2
SCHEMBL1861760 0.84 STAT3 (0.52) STAT3STAT1MAOACHEK2DYRK3
SCHEMBL584793 0.84 STAT3 (0.52) STAT3STAT1HDAC6TERTCHEK2
SCHEMBL585528 0.84 STAT3 (0.62) STAT3STAT1DYRK1AAURKACLK4
SCHEMBL31055740 0.84 STAT3 (0.62) STAT3STAT1DYRK1AAURKACLK4
Hydrochloric Acid SCHEMBL29883333 0.83 STAT3 (0.51) STAT3STAT1HDAC6TERTCHEK2
Hydrochloric Acid SCHEMBL584374 0.83 STAT3 (0.51) STAT3STAT1HDAC6TERTCHEK2
SCHEMBL1856477 0.82 STAT3 (0.50) STAT3STAT1HDAC6CHEK2PPARG

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-2008119950-A1 PORPHYRIN COMPOUNDS ISIS INNOVATION LIMITED (GB) 2008-10-09 — — WO disclosed
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