SCHEMBL6253353

SCHEMBL6253353

CCCN(CCCOc1ccc2c(c1)CC[C@@H]2OC(C)=O)c1ccc(C#N)cn1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.46
PPARA Q07869 16/20 0.46
PPARG P37231 2/20 0.40

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
SCHEMBL3021586 0.85 PPARD (0.67) PPARDPPARAPPARG
SCHEMBL12849334 0.85 PPARD (0.50) PPARDPPARAPPARG
SCHEMBL6207748 0.85 HCAR3 (0.39) PPARDPPARA
SCHEMBL1400310 0.83 PPARA (0.53) PPARAPPARG
SCHEMBL12809099 0.83 PPARD (0.54) PPARDPPARAPPARG
SCHEMBL13355768 0.83 PPARD (0.51) PPARDPPARAPPARG
SCHEMBL6207393 0.81 PPARA (0.54) PPARDPPARAPPARG
SCHEMBL6206461 0.80 PPARD (0.48) PPARDPPARAPPARG
SCHEMBL6207572 0.72 PPARD (0.52) PPARDPPARA
SCHEMBL4680363 0.72 PPARA (0.74) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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