SCHEMBL4582455

SCHEMBL4582455

CCc1ccc(Oc2ccc([C@H]3[C@H](O)CN(C(=O)OC(C)OC(=O)C(C)C)C[C@@H]3OCc3ccc4c(c3)N(CCCOC)CCO4)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.35
RORC P51449 4/20 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
SCHEMBL4597820 0.94 REN (0.34) RENRORC
SCHEMBL3942172 0.88 REN (0.39) RENRORC
SCHEMBL1081448 0.88 REN (0.36) REN
SCHEMBL4582451 0.88 REN (0.39) RENRORC
SCHEMBL4582446 0.88 REN (0.39) RENRORC
SCHEMBL4583875 0.87 REN (0.38) RENRORC
SCHEMBL4583879 0.87 REN (0.38) RENRORC
SCHEMBL14218865 0.87 REN (0.34) REN
SCHEMBL4583111 0.87 REN (0.34) REN
SCHEMBL4583049 0.86 REN (0.43) 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 3 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
EP-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed