SCHEMBL4583558

SCHEMBL4583558

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)OCc4ccccc4)C[C@@H](O)[C@@H]3c3ccc(OCCCOCc4ccccc4OC)cc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.44
CYP3A4 P08684 6/20 0.41

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
SCHEMBL2337671 1.00 REN (0.44) RENCYP3A4
SCHEMBL2335887 0.95 REN (0.45) RENCYP3A4
SCHEMBL2339965 0.93 REN (0.40) RENCYP3A4
SCHEMBL3905577 0.93 REN (0.40) REN
SCHEMBL1036379 0.92 REN (0.39) REN
SCHEMBL4583049 0.91 REN (0.43) RENCYP3A4
SCHEMBL2343576 0.91 REN (0.37) RENCYP3A4
SCHEMBL4583012 0.90 REN (0.37) REN
SCHEMBL2339518 0.90 REN (0.37) REN
SCHEMBL2337532 0.90 MMP9 (0.36) REN

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