SCHEMBL3124451

SCHEMBL3124451

CCc1ccc(-c2ncc(C)c(CNCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.72
PPARD Q03181 16/20 0.72
PPARG P37231 4/20 0.64

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
SCHEMBL1400678 0.94 PPARA (0.71) PPARAPPARDPPARG
SCHEMBL3120537 0.93 PPARD (0.70) PPARAPPARDPPARG
SCHEMBL1400908 0.92 PPARA (0.71) PPARAPPARDPPARG
SCHEMBL1400647 0.92 PPARA (0.70) PPARAPPARDPPARG
SCHEMBL1400494 0.91 PPARA (0.70) PPARAPPARDPPARG
SCHEMBL1400513 0.91 PPARA (0.70) PPARAPPARDPPARG
SCHEMBL1400885 0.91 PPARA (0.70) PPARAPPARDPPARG
SCHEMBL1400285 0.91 PPARD (0.64) PPARAPPARDPPARG
SCHEMBL1400409 0.90 PPARA (0.69) PPARAPPARDPPARG
SCHEMBL1400412 0.90 PPARA (0.71) PPARAPPARDPPARG

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-7714004-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2010-05-11 US claimed
EP-1578715-A2 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION Bayer Pharmaceuticals Corporation (US) 2005-09-28 EP disclosed
WO-2004058174-A2 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION BAYER PHARMACEUTICALS CORPORATION (US) 2004-07-15 WO disclosed