SCHEMBL25845869

SCHEMBL25845869

CC(=O)CC1CCc2cc(OCc3cccc4c3OC(F)(F)O4)ccc21

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.45
FFAR1 O14842 1/20 0.44
PPARA Q07869 6/20 0.42
SCN3A Q9NY46 1/20 0.41
CD274 Q9NZQ7 2/20 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
SCHEMBL25845872 0.92 PPARD (0.46) PPARDFFAR1PPARASCN3ACD274
SCHEMBL25846513 0.92 PPARD (0.55) PPARDFFAR1PPARA
SCHEMBL25845431 0.76 PPARD (0.47) PPARDFFAR1PPARA
SCHEMBL25845452 0.76 PPARD (0.47) PPARDFFAR1PPARA
SCHEMBL25844242 0.76 PPARD (0.59) PPARDFFAR1PPARA
SCHEMBL25846116 0.76 PPARD (0.59) PPARDFFAR1PPARA
SCHEMBL25846544 0.75 PPARD (0.45) PPARDFFAR1PPARA
SCHEMBL25845881 0.75 PPARD (0.39) PPARDFFAR1PPARA
SCHEMBL25845447 0.73 CD274 (0.43) PPARDFFAR1PPARACD274
SCHEMBL25846272 0.70 CD274 (0.42) PPARDFFAR1PPARACD274

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
EP-4212528-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUND AND MEDICAL APPLICATION THEREOF AB Pharma Ltd. (CN) 2023-07-19 EP disclosed