SCHEMBL6206461

SCHEMBL6206461

CC(=O)O[C@H]1CCc2cc(OCCCNc3ccc(C#N)cn3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.48
PPARA Q07869 7/20 0.48
DPP4 P27487 3/20 0.42
PPARG P37231 1/20 0.41
DPP8 Q6V1X1 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
ITGB3 P05106 3/20 0.38
ITGAV P06756 3/20 0.38
ITGB1 P05556 1/20 0.38
ITGA2B P08514 1/20 0.38
ITGB5 P18084 1/20 0.38
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL3019365 0.83 PPARD (0.72) PPARDPPARAPPARG
SCHEMBL12809116 0.81 PPARD (0.57) PPARDPPARAPPARG
SCHEMBL1400195 0.81 PPARG (0.53) PPARAPPARG
SCHEMBL13355812 0.80 PPARD (0.55) PPARDPPARADPP4PPARG
SCHEMBL6253353 0.80 PPARD (0.46) PPARDPPARAPPARG
SCHEMBL6207572 0.75 PPARD (0.52) PPARDPPARA
SCHEMBL6207557 0.74 PPARD (0.41) PPARDPPARAPPARGHCRTR1HCRTR2
SCHEMBL4680363 0.73 PPARA (0.74) PPARAPPARG
SCHEMBL4679810 0.73 PPARA (0.61) PPARDPPARAPPARG
SCHEMBL6208097 0.72 PPARA (0.40) PPARDPPARAPPARG

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