SCHEMBL4582031

SCHEMBL4582031

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)C(C)N)C[C@@H](CO)[C@@H]3c3ccc(COCC(C)COC)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 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
SCHEMBL4582027 1.00 REN (0.35) REN
SCHEMBL4582173 0.95 REN (0.35) REN
SCHEMBL4582169 0.95 REN (0.35) REN
SCHEMBL4583030 0.94 REN (0.34) REN
SCHEMBL4583026 0.94 REN (0.34) REN
SCHEMBL4582782 0.93 REN (0.35) REN
SCHEMBL4582785 0.93 REN (0.35) REN
SCHEMBL3945822 0.93 REN (0.35) REN
SCHEMBL3945819 0.93 REN (0.35) REN
SCHEMBL4582074 0.92 REN (0.35) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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