SCHEMBL4581227

SCHEMBL4581227

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

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.33
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
SCHEMBL4581232 1.00 REN (0.33) RENRORC
SCHEMBL4583214 0.93 REN (0.33) RENRORC
SCHEMBL4583210 0.93 REN (0.33) RENRORC
SCHEMBL4582159 0.91 REN (0.32) REN
SCHEMBL4582155 0.91 REN (0.32) REN
SCHEMBL4534784 0.90 REN (0.36) RENRORC
SCHEMBL1036694 0.90 REN (0.36) RENRORC
SCHEMBL4582492 0.88 REN (0.36) RENRORC
SCHEMBL4582488 0.88 REN (0.36) RENRORC
SCHEMBL4583722 0.87 REN (0.36) RENRORC

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