SCHEMBL8865488

SCHEMBL8865488

CC(C)OC(=O)COc1ccc(-c2c3nc(c(-c4ccc(OCC(=O)OC(C)C)cc4)c4ccc([nH]4)c(-c4ccc(OCC(=O)OC(C)C)cc4)c4nc(c(-c5ccc(OCC(=O)OC(C)C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.55
▸ TOP1 P11387 4/20 0.50
▸ CYCS P99999 4/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.48
▸ ENPP2 Q13822 1/20 0.45
▸ TERT O14746 3/20 0.42
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ P2RY12 Q9H244 1/20 0.41
▸ TP53 P04637 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL8865497 0.85 MAPT (0.41) MAPTTOP1CYCSABCG2ENPP2
SCHEMBL8907605 0.84 ABCG2 (0.52) MAPTTOP1CYCSABCG2ENPP2
SCHEMBL29558419 0.82 TOP1 (0.61) TOP1CYCSABCG2ENPP2TERT
SCHEMBL3794157 0.82 TOP1 (0.61) TOP1CYCSABCG2ENPP2TERT
SCHEMBL29454950 0.79 TERT (0.55) MAPTTOP1CYCSABCG2ENPP2
SCHEMBL8865224 0.79 MAPT (0.41) MAPTTOP1CYCSABCG2
Hydrochloric Acid SCHEMBL8865004 0.79 TOP1 (0.53) TOP1CYCSABCG2ENPP2TERT
SCHEMBL10730297 0.79 MEN1 (0.57) TOP1CYCSABCG2ENPP2
SCHEMBL8865525 0.75 TOP1 (0.58) TOP1CYCSABCG2ENPP2TERT
SCHEMBL10726864 0.74 ENPP2 (0.69) TOP1CYCSABCG2ENPP2TERT

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 3 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
US-5674467-A USED IN NMR DIAGNOSIS, RADIODIAGNOSIS OR RADIOTHERAPY INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH (DE) 1997-10-07 — — US 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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