SCHEMBL4347157

SCHEMBL4347157

CCOc1ccc(C[C@H](OC(C)C)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.61
PPARG P37231 16/20 0.55
PPARD Q03181 11/20 0.55

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
SCHEMBL6653118 0.85 ACACB (0.52) PPARA
SCHEMBL6653115 0.85 ACACB (0.52) PPARA
SCHEMBL4340665 0.85 PPARA (0.52) PPARAPPARGPPARD
SCHEMBL4327318 0.85 PPARA (0.52) PPARAPPARGPPARD
SCHEMBL5400441 0.84 PPARA (0.71) PPARAPPARGPPARD
SCHEMBL5400438 0.84 PPARA (0.71) PPARAPPARGPPARD
SCHEMBL5381390 0.81 PPARG (0.77) PPARAPPARGPPARD
SCHEMBL5381399 0.81 PPARG (0.77) PPARAPPARGPPARD
SCHEMBL4337033 0.81 PPARA (0.58) PPARAPPARGPPARD
SCHEMBL7108081 0.81 SLC7A5 (0.51) 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-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed