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Sugi Predict / Compounds / SCHEMBL4584456

SCHEMBL4584456

SCHEMBL4584456

CC[C@H](C)[C@H](N)C(=O)N1C[C@@H](O)[C@H](c2ccc(OCCCOc3ccccc3Cl)cc2)[C@@H](OCc2ccc3c(c2)N(CCCOC)CCO3)C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 5/20 0.33
▸ PPARG P37231 1/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ PPARA Q07869 1/20 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
SCHEMBL4583362 0.95 REN (0.34) RENPPARGPPARDPPARA
SCHEMBL4583366 0.95 REN (0.34) RENPPARGPPARDPPARA
SCHEMBL4582354 0.94 REN (0.34) RENPPARGPPARDPPARA
SCHEMBL4582351 0.94 REN (0.34) RENPPARGPPARDPPARA
SCHEMBL4583822 0.92 REN (0.33) REN
SCHEMBL4583824 0.92 REN (0.33) REN
SCHEMBL4584103 0.91 REN (0.43) REN
SCHEMBL4528639 0.89 REN (0.36) RENPPARGPPARDPPARA
SCHEMBL4583863 0.89 REN (0.37) REN
SCHEMBL8468981 0.89 REN (0.33) RENPPARGPPARDPPARA

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 4 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-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