SCHEMBL9084397

SCHEMBL9084397

COC(=O)C(Br)Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.77
PPARA Q07869 2/20 0.67

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
SCHEMBL7909717 0.90 PPARG (0.80) PPARGPPARA
SCHEMBL7824971 0.90 PPARG (0.78) PPARGPPARA
SCHEMBL3106722 0.89 PPARG (0.84) PPARGPPARA
SCHEMBL7920689 0.89 PPARG (0.77) PPARGPPARA
SCHEMBL7824382 0.89 PPARG (0.77) PPARGPPARA
SCHEMBL9087444 0.89 PPARG (0.77) PPARGPPARA
SCHEMBL9087533 0.89 PPARG (0.82) PPARGPPARA
SCHEMBL9389120 0.88 PPARG (0.76) PPARGPPARA
SCHEMBL9288468 0.88 PPARG (0.76) PPARGPPARA
SCHEMBL9220466 0.88 PPARG (0.76) PPARGPPARA

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
US-5589492-A Heterocyclic compounds and their use in the treatment of Type-II diabetes SMITHKLINE BEECHAM PLC (GB) 1996-12-31 US disclosed
EP-0635007-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF TYPE II-DIABETES SMITHKLINE BEECHAM PLC (GB) 1995-01-25 EP disclosed
WO-1993021166-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF TYPE II-DIABETES SMITHKLINE BEECHAM PLC (GB) 1993-10-28 WO disclosed