SCHEMBL13355774

SCHEMBL13355774

COc1ccc(-c2nc(NCCCOc3ccc4c(c3)CC[C@H]4CC=O)ccc2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.48
PPARG P37231 6/20 0.48
PPARD Q03181 14/20 0.48

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
SCHEMBL1401199 0.79 PPARD (0.60) PPARAPPARGPPARD
SCHEMBL1401197 0.79 PPARD (0.60) PPARAPPARGPPARD
SCHEMBL12798881 0.78 PPARA (0.48) PPARAPPARGPPARD
SCHEMBL12849454 0.78 PPARA (0.47) PPARAPPARGPPARD
SCHEMBL13355772 0.76 PPARD (0.48) PPARAPPARGPPARD
SCHEMBL12849456 0.76 PPARD (0.48) PPARAPPARGPPARD
SCHEMBL10270281 0.75 PPARD (0.56) PPARD
SCHEMBL13355812 0.75 PPARD (0.55) PPARAPPARGPPARD
SCHEMBL1400440 0.74 PPARA (0.55) PPARAPPARGPPARD
SCHEMBL1400882 0.73 PPARA (0.71) PPARAPPARGPPARD

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