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Sugi Predict / Compounds / SCHEMBL4583049

SCHEMBL4583049

SCHEMBL4583049

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)OC(C)OC(=O)C(C)C)C[C@@H](O)[C@@H]3c3ccc(OCCCOCc4ccccc4OC)cc3)cc21

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 19/20 0.43
▸ CYP3A4 P08684 8/20 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
SCHEMBL4583111 0.91 REN (0.34) RENCYP3A4
SCHEMBL14218865 0.91 REN (0.34) RENCYP3A4
SCHEMBL4583558 0.91 REN (0.44) RENCYP3A4
SCHEMBL2337671 0.91 REN (0.44) RENCYP3A4
SCHEMBL4582978 0.90 REN (0.44) RENCYP3A4
SCHEMBL4582973 0.90 REN (0.44) RENCYP3A4
SCHEMBL4597820 0.90 REN (0.34) RENCYP3A4
SCHEMBL4583072 0.89 REN (0.44) RENCYP3A4
SCHEMBL4583074 0.89 REN (0.44) RENCYP3A4
SCHEMBL4581455 0.88 REN (0.43) RENCYP3A4

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-1908762-A2 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 — — EP disclosed
EP-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 — — EP disclosed