SCHEMBL5186708

SCHEMBL5186708

CCOC(=O)C(C)(C)Oc1ccc(CCC(=O)Nc2cnc(-c3ccc(C(F)(F)F)cc3)nc2C2CC2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.39
PPARA Q07869 9/20 0.39
PPARG P37231 6/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
FOS P01100 1/20 0.36
JUN P05412 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
FFAR4 Q5NUL3 2/20 0.35
FFAR1 O14842 1/20 0.35
FFAR2 O15552 1/20 0.35
MCHR1 Q99705 4/20 0.35

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
SCHEMBL5186528 0.92 PPARA (0.47) PPARDPPARAPPARGFFAR4FFAR1
SCHEMBL5188301 0.89 PPARD (0.45) PPARDPPARAPPARGFOSJUN
SCHEMBL5937517 0.88 PPARD (0.46) PPARDPPARAPPARGFOSJUN
SCHEMBL5186720 0.86 PPARD (0.38) PPARDPPARAPPARGFOSJUN
SCHEMBL5187731 0.84 MAPT (0.42) PPARDPPARAPPARGTP53MAPT
SCHEMBL5186699 0.84 PPARD (0.39) PPARDPPARAPPARGFOSJUN
SCHEMBL5188300 0.84 PPARD (0.43) PPARDPPARAPPARGFOSJUN
SCHEMBL5186692 0.83 PPARA (0.38) PPARDPPARAPPARGTP53MAPT
SCHEMBL1549496 0.83 PPARG (0.44) PPARDPPARAPPARG
SCHEMBL5187698 0.81 PPARD (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863772-A1 AMIDE DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2007-12-12 EP disclosed
WO-2007028424-A1 AMIDE DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-15 WO disclosed