Sugi Predict

Sugi Predict / Compounds / SCHEMBL4598284

SCHEMBL4598284

SCHEMBL4598284

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

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 2/20 0.32
▸ RORC P51449 3/20 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
SCHEMBL4582164 1.00 REN (0.32) RENRORC
SCHEMBL4583414 0.96 REN (0.32) RENRORC
SCHEMBL4583415 0.96 REN (0.32) RENRORC
SCHEMBL4582216 0.95 REN (0.31) RENRORC
SCHEMBL4582218 0.95 REN (0.31) RENRORC
SCHEMBL4582910 0.94 REN (0.32) RENRORC
SCHEMBL4582196 0.94 REN (0.31) RENRORC
SCHEMBL4582191 0.94 REN (0.31) RENRORC
SCHEMBL4582895 0.91 REN (0.32) RENRORC
SCHEMBL4584569 0.91 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-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 — — EP disclosed