SCHEMBL5639337

SCHEMBL5639337

Cc1cc(SCc2ccc(C(F)(F)F)cc2)c(C)cc1[O]

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.45
PPARA Q07869 5/20 0.45
PPARG P37231 4/20 0.45
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
LMNA P02545 1/20 0.42
DAO P14920 1/20 0.42
MAPT P10636 1/20 0.41
SCN9A Q15858 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
MAOB P27338 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IDO1 P14902 2/20 0.40

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
SCHEMBL5639969 0.79 PPARD (0.54) PPARDPPARAPPARGBCHEACHE
SCHEMBL5638277 0.78 CYP1A2 (0.36) LMNAMAPTL3MBTL1
SCHEMBL5640170 0.76 PPARD (0.50) PPARDPPARAPPARGBCHEACHE
SCHEMBL5639325 0.75 PTPRG (0.52) DAOMAPTMAOBL3MBTL1
SCHEMBL6489922 0.71 PPARD (0.48) PPARDPPARAPPARGBCHELMNA
SCHEMBL5728665 0.71 PPARD (0.55) PPARDPPARAPPARG
SCHEMBL28944627 0.68 BCHE (0.56) PPARDPPARABCHEACHEDAO
SCHEMBL6490179 0.68 RAB9A (0.49) LMNADAOMAPTMAOBL3MBTL1
SCHEMBL6901685 0.68 MEN1 (0.49) LMNADAOMAPTMAOBL3MBTL1
SCHEMBL3028480 0.67 PDE2A (0.42) DAOMAPT

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
US-7244763-B2 Compounds that modulate PPAR activity and methods of preparation WARNER LAMBERT COMPANY LLC (US) 2007-07-17 US disclosed