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Sugi Predict / Compounds / SCHEMBL5100067

SCHEMBL5100067

SCHEMBL5100067

CC(C)(C)CCOc1cccc(OCCC(C)(C)C)c1-c1c2nc(cc3ccc([nH]3)c(-c3c(OCCC(C)(C)C)cccc3OCCC(C)(C)C)c3nc(cc4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.47
▸ STAT1 P42224 1/20 0.47
▸ MCHR1 Q99705 2/20 0.39
▸ IDO1 P14902 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
SCHEMBL14841979 0.84 STAT3 (0.47) STAT3STAT1MCHR1IDO1
SCHEMBL30733335 0.84 STAT3 (0.47) STAT3STAT1MCHR1
SCHEMBL6713137 0.82 STAT3 (0.50) STAT3STAT1
SCHEMBL14848833 0.80 STAT3 (0.45) STAT3STAT1MCHR1
SCHEMBL31409740 0.80 STAT3 (0.49) STAT3STAT1
SCHEMBL14848838 0.79 STAT3 (0.44) STAT3STAT1MCHR1
Zinc Ion SCHEMBL31409746 0.79 STAT3 (0.48) STAT3STAT1
Zinc Ion SCHEMBL31409747 0.79 STAT3 (0.48) STAT3STAT1
SCHEMBL14841716 0.78 STAT3 (0.41) STAT3STAT1MCHR1IDO1
SCHEMBL6000610 0.76 STAT3 (0.43) STAT3STAT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7445845-B2 Synthesis, spectroscopy, photophysics of multi-chromophoric ZN(II) group 8 metal complexes THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-11-04 — — US disclosed
US-20040152826-A1 Synthesis, spectroscopy, photophysics of multi-chromophoric Zn(II) group 8 metal complexes THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2004-08-05 — — US disclosed
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