SCHEMBL1400541

SCHEMBL1400541

CCC(C(=O)O)[C@@H]1CCc2cc(OCCCN(C)c3nccc(-c4ccc5c(c4)OCO5)n3)ccc21

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.65
PPARG P37231 18/20 0.65

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
SCHEMBL1400428 0.86 PPARA (0.65) PPARAPPARG
SCHEMBL1400637 0.85 PPARA (0.62) PPARAPPARG
SCHEMBL1400539 0.85 PPARA (0.64) PPARAPPARG
SCHEMBL1400915 0.83 PPARG (0.73) PPARAPPARG
SCHEMBL12798873 0.83 PPARA (0.54) PPARAPPARG
SCHEMBL12849333 0.81 PPARA (0.49) PPARAPPARG
SCHEMBL4681062 0.79 PPARA (1.00) PPARAPPARG
SCHEMBL1400664 0.78 PPARA (0.59) PPARAPPARG
SCHEMBL1400905 0.75 PPARA (0.62) PPARAPPARG
SCHEMBL3109294 0.75 PPARA (0.75) 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