SCHEMBL4584620

SCHEMBL4584620

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

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.33
RORC P51449 1/20 0.31

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
SCHEMBL4584612 1.00 REN (0.33) RENRORC
SCHEMBL4584615 1.00 REN (0.33) RENRORC
SCHEMBL4583458 0.96 REN (0.32) REN
SCHEMBL4582692 0.96 REN (0.34) RENRORC
SCHEMBL4582688 0.96 REN (0.34) RENRORC
SCHEMBL4582693 0.96 REN (0.34) RENRORC
SCHEMBL4582528 0.94 REN (0.33) RENRORC
SCHEMBL4582524 0.94 REN (0.33) RENRORC
SCHEMBL4582521 0.94 REN (0.33) RENRORC
SCHEMBL4582652 0.92 REN (0.31) 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