SCHEMBL25845753

SCHEMBL25845753

COC(=O)CC1COc2cc(OCc3cc(NC(=O)C(C)(C)C)cc4c3OCO4)ccc21

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 17/20 0.43
PPARD Q03181 10/20 0.43
PPARG P37231 8/20 0.43
PPARA Q07869 1/20 0.39

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
SCHEMBL25845756 1.00 FFAR1 (0.43) FFAR1PPARDPPARGPPARA
SCHEMBL25846421 0.92 FFAR1 (0.52) FFAR1PPARDPPARGPPARA
SCHEMBL25846420 0.92 FFAR1 (0.52) FFAR1PPARDPPARGPPARA
SCHEMBL25845717 0.91 FFAR1 (0.43) FFAR1PPARDPPARGPPARA
SCHEMBL25845682 0.90 FFAR1 (0.42) FFAR1PPARDPPARGPPARA
SCHEMBL25845680 0.90 FFAR1 (0.42) FFAR1PPARDPPARGPPARA
SCHEMBL25845749 0.90 FFAR1 (0.42) FFAR1PPARDPPARGPPARA
SCHEMBL25845689 0.86 FFAR1 (0.48) FFAR1PPARDPPARGPPARA
SCHEMBL25845691 0.86 FFAR1 (0.48) FFAR1PPARDPPARGPPARA
SCHEMBL25845647 0.85 FFAR1 (0.51) FFAR1PPARDPPARG

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