Sugi Predict

Sugi Predict / Compounds / SCHEMBL8909582

SCHEMBL8909582

SCHEMBL8909582

O=C([O-])COc1cccc(-c2c3nc(c(-c4cccc(OCC(=O)[O-])c4)c4ccc([nH]4)c(-c4cccc(OCC(=O)[O-])c4)c4nc(c(-c5cccc(OCC(=O)[O-])c5)c5ccc2[nH]5)C=C4)C=C3)c1.O=C([O-])COc1cccc(-c2c3nc(c(-c4cccc(OCC(=O)[O-])c4)c4ccc([nH]4)c(-c4cccc(OCC(=O)[O-])c4)c4nc(c(-c5cccc(OCC(=O)[O-])c5)c5ccc2[nH]5)C=C4)C=C3)c1.O=C([O-])COc1cccc(-c2c3nc(c(-c4cccc(OCC(=O)[O-])c4)c4ccc([nH]4)c(-c4cccc(OCC(=O)[O-])c4)c4nc(c(-c5cccc(OCC(=O)[O-])c5)c5ccc2[nH]5)C=C4)C=C3)c1.[Mn+3].[Mn+3].[Mn+3].[Mn+3]

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.44
▸ CYCS P99999 4/20 0.43
▸ ENPP2 Q13822 1/20 0.42
▸ FABP4 P15090 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ SERPINE1 P05121 1/20 0.40
▸ TERT O14746 2/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ PTGIR P43119 2/20 0.38

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
Hydrochloric Acid SCHEMBL8865595 0.99 TOP1 (0.43) TOP1CYCSENPP2FABP4ABCG2
SCHEMBL8908515 0.98 TOP1 (0.44) TOP1CYCSENPP2FABP4ABCG2
Hydrochloric Acid SCHEMBL8865553 0.96 TOP1 (0.43) TOP1CYCSENPP2FABP4ABCG2
SCHEMBL7614765 0.88 FABP4 (0.53) TOP1CYCSFABP4
SCHEMBL8909617 0.87 FABP4 (0.52) TOP1CYCSFABP4
SCHEMBL8909527 0.87 TOP1 (0.45) TOP1CYCSENPP2FABP4ABCG2
SCHEMBL8908536 0.87 FABP4 (0.52) TOP1CYCSFABP4
SCHEMBL8909265 0.84 TOP1 (0.41) TOP1CYCSENPP2FABP4ABCG2
Hydrochloric Acid SCHEMBL8865004 0.84 TOP1 (0.53) TOP1CYCSENPP2ABCG2TERT
Hydrochloric Acid SCHEMBL8865221 0.83 TOP1 (0.40) TOP1CYCSENPP2FABP4ABCG2

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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