SCHEMBL4692771

SCHEMBL4692771

C=CCOc1ccc(-c2cc(C(=O)NCc3ccc(OCC(C)C(=O)O)c(C)c3)n(C)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.56
PPARA Q07869 12/20 0.56
PPARD Q03181 10/20 0.56
PHGDH O43175 2/20 0.45
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PIN1 Q13526 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2806181 0.85 PPARG (0.75) PPARGPPARAPPARD
SCHEMBL4694981 0.82 PPARG (0.64) PPARGPPARAPPARDPHGDH
SCHEMBL4689976 0.78 PPARG (0.71) PPARGPPARAPPARDPHGDHALDH1A1
SCHEMBL4689487 0.73 PPARG (0.76) PPARGPPARAPPARDPHGDH
SCHEMBL14144726 0.73 PPARG (0.82) PPARGPPARAPPARD
SCHEMBL4692544 0.72 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL2807974 0.72 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL2859210 0.71 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL4692259 0.71 PPARG (0.85) PPARGPPARAPPARD
SCHEMBL4695139 0.71 PPARG (0.85) PPARGPPARAPPARDPHGDH

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
EP-1685113-B1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-30 EP claimed