SCHEMBL4575130

SCHEMBL4575130

CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2noc(C3CCN(C(=O)OCc4ccccc4)CC3)n2)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 6/20 0.43
CTNNB1 P35222 6/20 0.43
CETP P11597 1/20 0.40
PPARA Q07869 9/20 0.38
PPARD Q03181 7/20 0.38
PPARG P37231 4/20 0.38
YAP1 P46937 1/20 0.38
EPHX2 P34913 1/20 0.37
KCNH2 Q12809 1/20 0.37
CACNA1C Q13936 1/20 0.37

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
SCHEMBL4575471 0.93 PPARA (0.42) BCL9CTNNB1PPARAPPARDPPARG
SCHEMBL4575594 0.91 PPARA (0.41) PPARAPPARDPPARGEPHX2KCNH2
SCHEMBL4575286 0.91 SCN9A (0.39) BCL9CTNNB1PPARAPPARDPPARG
SCHEMBL4575260 0.90 PPARA (0.40) PPARAPPARDPPARG
SCHEMBL4575268 0.90 PPARA (0.42) PPARAPPARDPPARGEPHX2KCNH2
SCHEMBL4575664 0.89 PPARA (0.49) PPARAPPARDPPARGKCNH2
SCHEMBL4575862 0.89 PPARA (0.41) PPARAPPARDPPARGEPHX2KCNH2
SCHEMBL4574698 0.88 PPARA (0.46) PPARAPPARDPPARG
SCHEMBL4575604 0.88 PPARA (0.42) PPARAPPARDPPARGEPHX2KCNH2
SCHEMBL4576195 0.87 PPARA (0.44) PPARAPPARDPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
EP-1480957-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-01 EP disclosed
WO-2003074495-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 WO disclosed