SCHEMBL8909265

SCHEMBL8909265

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.41
▸ CYCS P99999 4/20 0.40
▸ ENPP2 Q13822 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ DHODH Q02127 2/20 0.36
▸ TERT O14746 3/20 0.36
▸ FABP4 P15090 1/20 0.34

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 SCHEMBL8865221 0.99 TOP1 (0.40) TOP1CYCSENPP2ABCG2DHODH
SCHEMBL8909297 0.88 TOP1 (0.44) TOP1CYCSENPP2ABCG2DHODH
SCHEMBL8908193 0.86 CYCS (0.48) TOP1CYCSENPP2ABCG2DHODH
SCHEMBL8909582 0.84 TOP1 (0.44) TOP1CYCSENPP2ABCG2DHODH
Hydrochloric Acid SCHEMBL8865595 0.83 TOP1 (0.43) TOP1CYCSENPP2ABCG2DHODH
SCHEMBL8908515 0.82 TOP1 (0.44) TOP1CYCSENPP2ABCG2DHODH
Hydrochloric Acid SCHEMBL8865553 0.81 TOP1 (0.43) TOP1CYCSENPP2ABCG2DHODH
SCHEMBL7614765 0.79 FABP4 (0.53) TOP1CYCSFABP4
SCHEMBL8909527 0.78 TOP1 (0.45) TOP1CYCSENPP2ABCG2DHODH
SCHEMBL8908536 0.78 FABP4 (0.52) TOP1CYCSFABP4

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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