SCHEMBL4582441

SCHEMBL4582441

CNC(=O)C(C)(C)C[C@@H]1C[C@H](c2ccc(OC)cc2)[C@@H](OCc2ccc3c(c2)N(CCCOC)CCO3)CN1C(=O)C(N)C(C)C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.31
RORC P51449 3/20 0.30

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
SCHEMBL4582319 1.00 REN (0.31) RENRORC
SCHEMBL4582439 1.00 REN (0.31) RENRORC
SCHEMBL4582324 1.00 REN (0.31) RENRORC
SCHEMBL4582731 0.96 REN (0.33) RENRORC
SCHEMBL4582733 0.96 REN (0.33) RENRORC
SCHEMBL4584569 0.96 REN (0.32) RENRORC
SCHEMBL4582895 0.96 REN (0.32) RENRORC
SCHEMBL4584572 0.96 REN (0.32) RENRORC
SCHEMBL4582894 0.96 REN (0.32) RENRORC
SCHEMBL4582700 0.95 REN (0.32) 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 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