SCHEMBL25846458

SCHEMBL25846458

O=C(O)CC1COc2cc(OCc3cc(F)cc4c3OC(F)(F)O4)ccc21

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.54
PPARG P37231 10/20 0.54
FFAR1 O14842 17/20 0.53
PPARA Q07869 1/20 0.51

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
SCHEMBL25846459 1.00 PPARD (0.54) PPARDPPARGFFAR1PPARA
SCHEMBL25845800 0.91 FFAR1 (0.46) PPARDPPARGFFAR1
SCHEMBL25846205 0.90 FFAR1 (0.56) PPARDPPARGFFAR1PPARA
SCHEMBL25846171 0.90 FFAR1 (0.56) PPARDPPARGFFAR1PPARA
SCHEMBL25846464 0.90 FFAR1 (0.56) PPARDPPARGFFAR1PPARA
SCHEMBL25846116 0.89 PPARD (0.59) PPARDPPARGFFAR1PPARA
SCHEMBL25844242 0.89 PPARD (0.59) PPARDPPARGFFAR1PPARA
SCHEMBL25846453 0.88 FFAR1 (0.55) PPARDPPARGFFAR1PPARA
SCHEMBL25845939 0.87 PPARD (0.58) PPARDPPARGFFAR1PPARA
SCHEMBL25845972 0.87 PPARD (0.58) PPARDPPARGFFAR1PPARA

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