SCHEMBL28868232

SCHEMBL28868232

CC(=O)Nc1cc(O)c(C(=O)CCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C(C)C)cc1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.45
PPARA Q07869 9/20 0.45
PPARG P37231 6/20 0.45
FFAR1 O14842 6/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
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
NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL30008095 1.00 PPARD (0.45) PPARDPPARAPPARGFFAR1NPC1
SCHEMBL30007945 0.90 PPARD (0.43) PPARDPPARAPPARGFFAR1NPC1
SCHEMBL28868245 0.90 PPARD (0.43) PPARDPPARAPPARGFFAR1NPC1
SCHEMBL28868243 0.89 PPARD (0.49) PPARDPPARAPPARGFFAR1NPC1
SCHEMBL28868236 0.82 PPARD (0.56) PPARDPPARAPPARGFFAR1
SCHEMBL30008368 0.82 PPARD (0.56) PPARDPPARAPPARGFFAR1
SCHEMBL28868233 0.80 NPC1 (0.36) PPARDPPARAPPARGFFAR1NPC1
SCHEMBL28868237 0.80 NPC1 (0.36) PPARDPPARAPPARGFFAR1NPC1
SCHEMBL30008188 0.80 NPC1 (0.36) PPARDPPARAPPARGFFAR1NPC1
SCHEMBL1673291 0.80 PPARD (0.49) PPARDPPARAPPARGFFAR1NPC1

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
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-A Preparation method of PPAR delta agonist finadepa and intermediate thereof 沈阳药科大学 2022-10-21 CN disclosed