SCHEMBL27508133

SCHEMBL27508133

Cc1ccc(-c2nc(CCCCCCOCC(C)(C)C(=O)O)c(C)o2)cc1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.64
PPARG P37231 17/20 0.64
PPARD Q03181 6/20 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
SCHEMBL5855492 0.86 PPARA (0.85) PPARAPPARGPPARD
SCHEMBL7084006 0.81 PPARA (0.67) PPARAPPARGPPARD
SCHEMBL14468309 0.80 PPARG (0.64) PPARAPPARGPPARD
SCHEMBL5855701 0.80 PPARA (0.69) PPARAPPARGPPARD
SCHEMBL5856086 0.79 PPARA (0.56) PPARAPPARGPPARD
SCHEMBL5856856 0.79 PPARA (0.67) PPARAPPARGPPARD
SCHEMBL5857375 0.79 PPARA (0.67) PPARAPPARGPPARD
SCHEMBL5858178 0.78 PPARA (1.00) PPARAPPARGPPARD
SCHEMBL5855953 0.78 PPARA (1.00) PPARAPPARGPPARD
SCHEMBL5857062 0.78 PPARA (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1238347-C Heterocyclic derivatives NIPPON SHINYAKU CO LTD (JP) 2006-01-25 CN disclosed
CN-1430612-A Hete rocyclic derivatives NIPPON SHINYAKU CO LTD (JP) 2003-07-16 CN disclosed