SCHEMBL4583718

SCHEMBL4583718

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

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.36
RORC P51449 4/20 0.32

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
SCHEMBL4583722 1.00 REN (0.36) RENRORC
SCHEMBL4582488 0.95 REN (0.36) RENRORC
SCHEMBL4582492 0.95 REN (0.36) RENRORC
SCHEMBL4583368 0.95 REN (0.36) RENRORC
SCHEMBL4583365 0.95 REN (0.36) RENRORC
SCHEMBL4583363 0.93 REN (0.35) RENRORC
SCHEMBL4583360 0.93 REN (0.35) RENRORC
SCHEMBL4582750 0.92 REN (0.36) RENRORC
SCHEMBL4582751 0.92 REN (0.36) RENRORC
SCHEMBL1036694 0.92 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