SCHEMBL12633119

SCHEMBL12633119

CS(=O)(=O)OCCCOc1cccc(-c2c3nc(cc4ccc([nH]4)c(-c4cccc(OCCCOS(C)(=O)=O)c4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.49
▸ STAT1 P42224 1/20 0.49
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ HDAC6 Q9UBN7 11/20 0.34
▸ HDAC3 O15379 10/20 0.34
▸ HDAC4 P56524 10/20 0.34
▸ HDAC1 Q13547 10/20 0.34
▸ HDAC7 Q8WUI4 10/20 0.34
▸ HDAC2 Q92769 10/20 0.34
▸ HDAC10 Q969S8 10/20 0.34
▸ HDAC11 Q96DB2 10/20 0.34
▸ HDAC8 Q9BY41 10/20 0.34
▸ HDAC9 Q9UKV0 10/20 0.34
▸ HDAC5 Q9UQL6 10/20 0.34
▸ DHFR P00374 1/20 0.34
▸ CHEK2 O96017 1/20 0.34
▸ DYRK3 O43781 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ PIM1 P11309 1/20 0.33

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
SCHEMBL12668290 0.96 STAT3 (0.46) STAT3STAT1PPARGPPARAHDAC6
SCHEMBL1856477 0.89 STAT3 (0.50) STAT3STAT1PPARGPPARAHDAC6
SCHEMBL585272 0.84 STAT3 (0.55) STAT3STAT1PPARGPPARAHDAC6
SCHEMBL1854874 0.84 STAT3 (0.55) STAT3STAT1PPARGPPARAHDAC6
SCHEMBL1861760 0.83 STAT3 (0.52) STAT3STAT1CHEK2DYRK3MAP4K4
SCHEMBL584793 0.83 STAT3 (0.52) STAT3STAT1PPARGPPARAHDAC6
Hydrochloric Acid SCHEMBL29883333 0.82 STAT3 (0.51) STAT3STAT1PPARGPPARAHDAC6
Hydrochloric Acid SCHEMBL584374 0.82 STAT3 (0.51) STAT3STAT1PPARGPPARAHDAC6
SCHEMBL4745594 0.81 STAT3 (0.52) STAT3STAT1PPARGPPARAHDAC6
SCHEMBL17722671 0.81 STAT3 (0.49) STAT3STAT1PPARGPPARAHDAC6

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-7947674-B2 Meso-substituted porphyrins L. Molteni & C. Dei Fratelli Alitti (IT) 2011-05-24 — — US disclosed
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