SCHEMBL8865525

SCHEMBL8865525

CC(C)C(Oc1ccc(-c2c3nc(c(-c4ccc(OC(C(=O)O)C(C)C)cc4)c4ccc([nH]4)c(-c4ccc(OC(C(=O)O)C(C)C)cc4)c4nc(c(-c5ccc(OC(C(=O)O)C(C)C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.58
▸ CYCS P99999 4/20 0.57
▸ ABCG2 Q9UNQ0 1/20 0.52
▸ ENPP2 Q13822 1/20 0.49
▸ PPARG P37231 2/20 0.48
▸ PPARA Q07869 2/20 0.48
▸ TERT O14746 5/20 0.46
▸ CYP1A2 P05177 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ CYP2C19 P33261 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
SCHEMBL25565736 0.83 TERT (0.53) TOP1CYCSABCG2ENPP2TERT
SCHEMBL8865261 0.79 PPARG (0.43) TOP1CYCSABCG2ENPP2PPARG
SCHEMBL10523963 0.78 TOP1 (0.60) TOP1CYCSABCG2ENPP2TERT
SCHEMBL6035947 0.76 TOP1 (0.46) TOP1CYCSABCG2ENPP2TERT
SCHEMBL29558419 0.76 TOP1 (0.61) TOP1CYCSABCG2ENPP2TERT
SCHEMBL3794157 0.76 TOP1 (0.61) TOP1CYCSABCG2ENPP2TERT
SCHEMBL25566046 0.75 TERT (0.47) TOP1CYCSABCG2ENPP2TERT
SCHEMBL25565782 0.75 TERT (0.45) TOP1CYCSABCG2ENPP2TERT
SCHEMBL949511 0.75 TERT (0.57) TOP1CYCSABCG2ENPP2TERT
SCHEMBL29414382 0.75 TERT (0.57) 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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