SCHEMBL5188802

SCHEMBL5188802

CCOC(=O)C(C)(C)Oc1ccc(CCC(=O)Nc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
PPARD Q03181 3/20 0.42
PPARA Q07869 3/20 0.42
CETP P11597 1/20 0.42
NAMPT P43490 1/20 0.41
FFAR4 Q5NUL3 2/20 0.41
PPARG P37231 2/20 0.41
FFAR1 O14842 1/20 0.41
FFAR2 O15552 1/20 0.41
FBP1 P09467 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5188253 0.92 FFAR4 (0.45) HDAC1HDAC2MAPTTP53PPARD
SCHEMBL5186637 0.90 PPARA (0.53) MCHR1PPARDPPARAFFAR4PPARG
SCHEMBL5188244 0.85 PPARA (0.41) MCHR1PPARDPPARAFFAR4PPARG
SCHEMBL5187722 0.82 PPARA (0.49) MCHR1MAPTTP53PPARDPPARA
SCHEMBL5187778 0.82 FFAR4 (0.49) PPARDPPARAFFAR4PPARG
SCHEMBL5188254 0.82 IDH1 (0.42) MCHR1MAPTTP53FBP1
SCHEMBL5188293 0.81 PPARD (0.47) MAPTTP53PPARDPPARAPPARG
SCHEMBL5186708 0.80 PPARD (0.39) MCHR1MAPTTP53PPARDPPARA
SCHEMBL5188800 0.80 PSEN1 (0.46) MCHR1MAPTPPARDPPARAPPARG
SCHEMBL5648539 0.79 PPARA (0.48) PPARDPPARAPPARGFBP1

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