SCHEMBL13355772

SCHEMBL13355772

Cc1cnc(I)nc1NCCCOc1ccc2c(c1)CC[C@H]2CC=O

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 19/20 0.48
PPARA Q07869 10/20 0.44
PPARG P37231 1/20 0.42

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
SCHEMBL12849456 0.89 PPARD (0.48) PPARDPPARAPPARG
SCHEMBL13355777 0.81 PPARD (0.62) PPARDPPARA
SCHEMBL13355773 0.79 PPARD (0.50) PPARDPPARA
SCHEMBL3026881 0.79 PPARD (0.62) PPARDPPARA
SCHEMBL1400983 0.76 PPARA (0.70) PPARDPPARAPPARG
SCHEMBL13355774 0.76 PPARA (0.48) PPARDPPARAPPARG
SCHEMBL12798942 0.76 PPARD (0.52) PPARDPPARA
SCHEMBL1400882 0.75 PPARA (0.71) PPARDPPARAPPARG
SCHEMBL1400860 0.75 PPARA (0.72) PPARDPPARAPPARG
SCHEMBL1400945 0.75 PPARA (0.71) 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 1 patent. 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 disclosed