SCHEMBL1400727

SCHEMBL1400727

CCC(C(=O)O)[C@@H]1CCc2cc(OCCCN(C)c3nc(Cl)c(C#N)cc3F)ccc21

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.54
PPARG P37231 18/20 0.54

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
SCHEMBL1400749 0.88 PPARA (0.55) PPARAPPARG
SCHEMBL3025877 0.85 PPARD (0.62) PPARA
SCHEMBL1400726 0.84 PPARA (0.54) PPARAPPARG
SCHEMBL12809051 0.83 PPARD (0.54) PPARA
SCHEMBL1400883 0.83 PPARA (0.55) PPARAPPARG
SCHEMBL12849189 0.82 PPARD (0.50) PPARA
SCHEMBL1400465 0.81 PPARA (0.58) PPARAPPARG
SCHEMBL1400852 0.79 PPARA (0.58) PPARAPPARG
SCHEMBL1400795 0.76 PPARA (0.63) PPARAPPARG
SCHEMBL1400200 0.75 PPARG (0.62) PPARAPPARG

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