SCHEMBL4582196

SCHEMBL4582196

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

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.31
RORC P51449 2/20 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
SCHEMBL4582191 1.00 REN (0.31) RENRORC
SCHEMBL4583009 0.96 REN (0.31) RENRORC
SCHEMBL4583006 0.96 REN (0.31) RENRORC
SCHEMBL4583857 0.94 RORC (0.31) RENRORC
SCHEMBL4583859 0.94 RORC (0.31) RENRORC
SCHEMBL4582737 0.94 REN (0.31) RENRORC
SCHEMBL4582164 0.94 REN (0.32) RENRORC
SCHEMBL4598284 0.94 REN (0.32) RENRORC
SCHEMBL4583035 0.91 REN (0.31) REN
SCHEMBL4583038 0.91 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 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