SCHEMBL4754236

SCHEMBL4754236

CCCC(=O)OOc1ccc(C(=O)CCc2nc(-c3ccccc3C(F)(F)F)sc2C(C)C)cc1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 2/20 0.34
WNT3A P56704 3/20 0.33
PPARD Q03181 5/20 0.32
PPARA Q07869 2/20 0.32
S1PR1 P21453 2/20 0.32
NR1H4 Q96RI1 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
CTNNB1 P35222 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL1765923 0.85 PPARD (0.44) PPARDPPARAFFAR1FFAR4MEN1
SCHEMBL2463785 0.85 PPARD (0.38) CTSAWNT3APPARDPPARAS1PR1
SCHEMBL2463771 0.84 PPARD (0.44) CTSAWNT3APPARDPPARA
SCHEMBL2493984 0.83 CTSA (0.36) CTSAWNT3APPARDPPARAS1PR1
SCHEMBL4754172 0.79 CRHR1 (0.34) CTSAWNT3APPARDPPARAS1PR1
SCHEMBL2466105 0.78 PPARD (0.37) CTSAWNT3APPARDPPARAS1PR1
SCHEMBL6888377 0.78 THRA (0.38) CTSAWNT3APPARDPPARAS1PR1
SCHEMBL3522397 0.77 PPARD (0.42) PPARDPPARAKDM4EMEN1MAPT
SCHEMBL2465204 0.73 PPARD (0.46) PPARDPPARAFFAR1FFAR4MEN1
SCHEMBL2465182 0.72 PPARD (0.47) CTSAWNT3APPARDPPARAS1PR1

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
WO-2008154023-A1 NOVEL USES OF PPAR DELTA AGONISTS CERENIS THERAPEUTICS S.A. (FR) 2008-12-18 WO disclosed