SCHEMBL25845716

SCHEMBL25845716

COC(=O)Nc1cc(COc2ccc3c(c2)OCC3NC(=O)OC)c2c(c1)OCO2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.42
DRD2 P14416 2/20 0.41
HTR2A P28223 2/20 0.41
DRD3 P35462 2/20 0.41
KMT2A Q03164 1/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FFAR1 O14842 4/20 0.36
PPARG P37231 3/20 0.36
PPARD Q03181 3/20 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
SCHEMBL25845717 0.85 FFAR1 (0.43) FFAR1PPARGPPARD
SCHEMBL25846397 0.85 PPARD (0.52) FFAR1PPARGPPARD
SCHEMBL25845849 0.80 CD274 (0.36) CD274DRD2HTR2ADRD3KMT2A
SCHEMBL25845680 0.78 FFAR1 (0.42) FFAR1PPARGPPARD
SCHEMBL25845682 0.78 FFAR1 (0.42) FFAR1PPARGPPARD
SCHEMBL25846371 0.77 FFAR1 (0.51) FFAR1PPARGPPARD
SCHEMBL25844258 0.77 FFAR1 (0.51) FFAR1PPARGPPARD
SCHEMBL25845730 0.77 FFAR1 (0.41) FFAR1PPARGPPARD
SCHEMBL25846492 0.77 CD274 (0.38) CD274KMT2ARAB9ANPC1FFAR1
SCHEMBL25845756 0.76 FFAR1 (0.43) FFAR1PPARGPPARD

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