SCHEMBL8908193

SCHEMBL8908193

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYCS P99999 4/20 0.48
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ TOP1 P11387 3/20 0.40
▸ TERT O14746 3/20 0.37
▸ XDH P47989 1/20 0.37
▸ ENPP2 Q13822 1/20 0.36
▸ DHODH Q02127 2/20 0.36
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 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
SCHEMBL8865578 0.87 CYCS (0.40) CYCSABCG2TOP1ENPP2DHODH
SCHEMBL8909297 0.87 TOP1 (0.44) CYCSABCG2TOP1TERTENPP2
SCHEMBL8909265 0.86 TOP1 (0.41) CYCSABCG2TOP1TERTENPP2
Hydrochloric Acid SCHEMBL8865221 0.85 TOP1 (0.40) CYCSABCG2TOP1TERTENPP2
SCHEMBL7614765 0.78 FABP4 (0.53) CYCSTOP1
SCHEMBL8909617 0.78 FABP4 (0.52) CYCSTOP1
SCHEMBL8909527 0.78 TOP1 (0.45) CYCSABCG2TOP1TERTENPP2
SCHEMBL8908536 0.78 FABP4 (0.52) CYCSTOP1
SCHEMBL8908441 0.77 L3MBTL1 (0.50) MTNR1AMTNR1B
SCHEMBL8909582 0.77 TOP1 (0.44) CYCSABCG2TOP1TERTENPP2

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
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 disclosed
WO-1994019352-A1 MESO-TETRAPHENYL PORPHYRIN COMPLEX COMPOUNDS, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICALS CONTAINING THE SAME Institut für Diagnostikforschung GmbH an der Freien Universität Berlin (DE) 1994-09-01 — — WO disclosed
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