Sugi Predict

Sugi Predict / Compounds / SCHEMBL4583869

SCHEMBL4583869

SCHEMBL4583869

COCCCC(O[C@H]1CN(C(=O)OC(C)OC(=O)C(C)C)C[C@@H](O)[C@@H]1c1ccc(OCCCOCc2ccccc2OC)cc1)c1ccc2c(c1)NCC2(C)C

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.37
▸ CYP3A4 P08684 3/20 0.35

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
SCHEMBL4582711 0.91 REN (0.39) REN
SCHEMBL4537595 0.91 REN (0.39) RENCYP3A4
SCHEMBL4584771 0.90 REN (0.38) RENCYP3A4
SCHEMBL4583042 0.89 REN (0.37) RENCYP3A4
SCHEMBL4583266 0.88 REN (0.37) RENCYP3A4
SCHEMBL4582659 0.87 REN (0.36) RENCYP3A4
SCHEMBL4582823 0.84 REN (0.38) RENCYP3A4
SCHEMBL4584098 0.84 REN (0.46) RENCYP3A4
SCHEMBL4526400 0.84 REN (0.39) RENCYP3A4
SCHEMBL3418212 0.81 REN (0.40) RENCYP3A4

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