SCHEMBL25846406

SCHEMBL25846406

CCCC(CC)OC(=O)Nc1cc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c2c(c1)OCO2

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 18/20 0.46
PPARG P37231 7/20 0.45
PPARD Q03181 7/20 0.45
PPARA Q07869 1/20 0.43

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
SCHEMBL25846404 1.00 FFAR1 (0.46) FFAR1PPARGPPARDPPARA
SCHEMBL25846397 0.87 PPARD (0.52) FFAR1PPARGPPARDPPARA
SCHEMBL25844258 0.84 FFAR1 (0.51) FFAR1PPARGPPARDPPARA
SCHEMBL25846371 0.84 FFAR1 (0.51) FFAR1PPARGPPARDPPARA
SCHEMBL25846420 0.82 FFAR1 (0.52) FFAR1PPARGPPARDPPARA
SCHEMBL25846421 0.82 FFAR1 (0.52) FFAR1PPARGPPARDPPARA
SCHEMBL26727698 0.82 PPARG (0.48) FFAR1PPARGPPARDPPARA
SCHEMBL25846412 0.81 FFAR1 (0.51) FFAR1PPARGPPARDPPARA
SCHEMBL25846415 0.81 FFAR1 (0.51) FFAR1PPARGPPARDPPARA
SCHEMBL25845717 0.81 FFAR1 (0.43) FFAR1PPARGPPARDPPARA

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