SCHEMBL28868239

SCHEMBL28868239

Cc1cc(C(=O)/C=C/c2sc(-c3ccc(C(F)(F)F)cc3)nc2C(C)C)c(O)cc1O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.39
PPARA Q07869 11/20 0.39
PPARG P37231 7/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CRHBP P24387 1/20 0.39
KMT2A Q03164 1/20 0.39
CRHR2 Q13324 1/20 0.39
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
FFAR1 O14842 3/20 0.37
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 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
SCHEMBL30008188 0.89 NPC1 (0.36) PPARDPPARAPPARGMAPTKDM4E
SCHEMBL28868233 0.89 NPC1 (0.36) PPARDPPARAPPARGMAPTKDM4E
SCHEMBL28868237 0.89 NPC1 (0.36) PPARDPPARAPPARGMAPTKDM4E
SCHEMBL31135796 0.88 KDM4E (0.38) PPARDPPARAPPARGMAPTKDM4E
SCHEMBL2463948 0.87 CYP1A1 (0.41) PPARDPPARAPPARGMAPTKDM4E
SCHEMBL28868238 0.86 PPARD (0.49) PPARDPPARAPPARGFFAR1
SCHEMBL28868234 0.86 PPARD (0.49) PPARDPPARAPPARGFFAR1
SCHEMBL30008205 0.86 PPARD (0.49) PPARDPPARAPPARGFFAR1
SCHEMBL15191755 0.79 CYP1A1 (0.42) PPARDPPARAPPARGMAPTKDM4E
SCHEMBL4321073 0.78 PPARD (0.53) PPARDPPARAPPARGFFAR1CYP1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115215856-A Preparation method of PPAR delta agonist finadepa and intermediate thereof 沈阳药科大学 2022-10-21 CN claimed
CN-115215856-B Preparation method of PPAR delta agonist Funadepad and intermediate thereof 沈阳药科大学 2024-10-11 CN disclosed
CN-115215856-A Preparation method of PPAR delta agonist finadepa and intermediate thereof 沈阳药科大学 2022-10-21 CN disclosed