SCHEMBL12532016

SCHEMBL12532016

COC(Cc1cccc(F)c1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.63
PPARA Q07869 11/20 0.63
SLC1A1 P43005 2/20 0.56
SRR Q9GZT4 2/20 0.49
PPARD Q03181 3/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
FFAR1 O14842 1/20 0.45

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
SCHEMBL5383987 0.87 PPARG (0.62) PPARGPPARASLC1A1PPARD
SCHEMBL14366609 0.87 PPARG (0.62) PPARGPPARASLC1A1PPARD
SCHEMBL28165651 0.85 PPARG (0.52) PPARGPPARASLC1A1MEN1KMT2A
SCHEMBL31321016 0.83 PPARG (0.56) PPARGPPARASRRPPARDFFAR1
SCHEMBL22264858 0.83 PPARG (0.56) PPARGPPARASRRPPARDFFAR1
SCHEMBL5383259 0.83 SRR (0.50) PPARGPPARASRRPPARDFFAR1
SCHEMBL22264856 0.83 PPARG (0.56) PPARGPPARASRRPPARDFFAR1
SCHEMBL4263574 0.82 PPARG (0.48) PPARGPPARASRRPPARDFFAR1
SCHEMBL9628212 0.81 SRR (0.70) PPARGPPARASRRPPARD
SCHEMBL2517934 0.81 SRR (0.70) PPARGPPARASRRPPARD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2327766-A1 Nitrilases Verenium Corporation (US) 2011-06-01 EP disclosed
EP-2327767-A1 Nitrilases Verenium Corporation (US) 2011-06-01 EP disclosed
EP-2327765-A1 Nitrilases Verenium Corporation (US) 2011-06-01 EP disclosed
EP-2319919-A1 Nitrilases Verenium Corporation (US) 2011-05-11 EP disclosed