SCHEMBL8908128

SCHEMBL8908128

CC(=O)N(CCCOc1cccc(-c2c3nc(c(-c4cccc(OCCCN(CC(=O)O)C(C)=O)c4)c4ccc([nH]4)c(-c4cccc(OCCCN(CC(=O)O)C(C)=O)c4)c4nc(c(-c5cccc(OCCCN(CC(=O)O)C(C)=O)c5)c5ccc2[nH]5)C=C4)C=C3)c1)CC(=O)O.[Mn+3]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.42
▸ PPARA Q07869 3/20 0.42
▸ CHEK2 O96017 1/20 0.41
▸ CYCS P99999 4/20 0.39
▸ TOP1 P11387 3/20 0.39
▸ DYRK3 O43781 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ PKN2 Q16513 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ BRSK1 Q8TDC3 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ HIPK2 Q9H2X6 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ MKNK2 Q9HBH9 1/20 0.38
▸ STK17A Q9UEE5 1/20 0.38
▸ MAP4K5 Q9Y4K4 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.36

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
SCHEMBL8908103 0.92 CHEK2 (0.40) PPARGPPARACHEK2CYCSTOP1
SCHEMBL8865576 0.87 PDE3B (0.41) PPARGPPARACHEK2CYCSTOP1
SCHEMBL19718153 0.81 PPARG (0.52) PPARGPPARACYCSHDAC3HDAC4
SCHEMBL29831314 0.81 PPARG (0.52) PPARGPPARACYCSHDAC3HDAC4
SCHEMBL8865532 0.79 PDE3B (0.34) PPARGPPARACHEK2DYRK3MAP4K4
SCHEMBL29831938 0.79 PPARG (0.51) PPARGPPARAHDAC3HDAC4HDAC1
SCHEMBL19718136 0.79 PPARG (0.51) PPARGPPARAHDAC3HDAC4HDAC1
SCHEMBL7614765 0.78 FABP4 (0.53) CYCSTOP1KDM4EALDH1A1
SCHEMBL8908441 0.78 L3MBTL1 (0.50) —
SCHEMBL8909617 0.77 FABP4 (0.52) CYCSTOP1KDM4EALDH1A1

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
EP-0684948-B1 MESO-TETRAPHENYL PORPHYRIN COMPLEX COMPOUNDS, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICALS CONTAINING THE SAME DIAGNOSTIKFORSCHUNG INST (DE) 1997-10-22 — — EP claimed
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