SCHEMBL9220294

SCHEMBL9220294

CC(C)=CCC(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.73
PPARA Q07869 2/20 0.68

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
SCHEMBL9221301 0.92 PPARG (0.71) PPARGPPARA
SCHEMBL2786495 0.90 PPARG (0.84) PPARGPPARA
SCHEMBL9281649 0.88 PPARG (0.79) PPARGPPARA
SCHEMBL9273267 0.88 PPARG (0.71) PPARGPPARA
SCHEMBL9273264 0.88 PPARG (0.71) PPARGPPARA
SCHEMBL9287578 0.87 PPARG (0.78) PPARGPPARA
SCHEMBL9273453 0.87 PPARG (0.83) PPARGPPARA
SCHEMBL6936735 0.86 PPARG (0.82) PPARGPPARA
Trifluoroacetic Acid SCHEMBL7711576 0.86 PPARG (0.78) PPARGPPARA
SCHEMBL6939250 0.86 PPARG (0.81) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995003288-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE IN THERAPEUTICS SMITHKLINE BEECHAM PLC (GB) 1995-02-02 WO disclosed