SCHEMBL4742857

SCHEMBL4742857

CCOC(=O)C(C)(C)Oc1ccc(CN(C)Cc2cc(-c3ccc(C(F)(F)F)cc3)nn2Cc2ccc(OC)cc2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
PPARD Q03181 11/20 0.42
PPARA Q07869 10/20 0.42
PPARG P37231 8/20 0.42
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TP53 P04637 1/20 0.37
ASIC1 P78348 1/20 0.37
GCGR P47871 1/20 0.36
THRB P10828 1/20 0.36
CRHR1 P34998 1/20 0.36

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
SCHEMBL14446020 0.92 PPARA (0.51) PPARDPPARAPPARGASIC1
SCHEMBL14445956 0.86 PPARA (0.46) PPARDPPARAPPARG
SCHEMBL5397707 0.86 PPARA (0.45) MAPTPPARDPPARAPPARGPOLB
SCHEMBL5418507 0.86 MAPT (0.45) MAPTPPARDPPARAPPARGPOLB
SCHEMBL4685213 0.83 MAPT (0.41) MAPTPPARDPPARAPPARGTP53
SCHEMBL4682592 0.83 PPARA (0.41) MAPTPPARDPPARAPPARGPOLB
SCHEMBL4685126 0.82 PPARA (0.43) MAPTPPARDPPARAPPARGGCGR
SCHEMBL4681908 0.82 MAPT (0.46) MAPTPPARDPPARAPPARGPOLB
SCHEMBL14445976 0.80 PPARA (0.41) MAPTPPARDPPARAPPARGTP53
SCHEMBL4682146 0.78 PPARA (0.45) PPARDPPARAPPARG

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-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US claimed
EP-1513796-B1 PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORP (US) 2008-02-13 EP disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed