SCHEMBL1401145

SCHEMBL1401145

CN(c1ccccc1)c1cccc(CCOc2ccc3c(c2)CCC3CC(=O)O)n1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.61
PPARA Q07869 14/20 0.61
PPARD Q03181 6/20 0.60

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
SCHEMBL1401146 1.00 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL3023167 0.83 PPARD (0.66) PPARGPPARAPPARD
SCHEMBL1400658 0.82 PPARA (0.69) PPARGPPARAPPARD
SCHEMBL1400457 0.79 PPARA (0.73) PPARGPPARAPPARD
SCHEMBL1400640 0.79 PPARA (0.70) PPARGPPARAPPARD
SCHEMBL3018542 0.79 PPARA (0.69) PPARGPPARAPPARD
SCHEMBL1400650 0.79 PPARA (0.61) PPARGPPARAPPARD
SCHEMBL1400600 0.78 PPARA (0.68) PPARGPPARAPPARD
SCHEMBL3023727 0.78 PPARA (0.68) PPARGPPARAPPARD
SCHEMBL1400716 0.78 PPARA (0.67) PPARGPPARAPPARD

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-1578715-B1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION BAYER PHARMACEUTICALS CORP (US) 2011-03-02 EP disclosed