SCHEMBL25845447

SCHEMBL25845447

COC(=O)C1COc2cc(OCc3cccc4c3OC(F)(F)O4)ccc21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.40
FFAR1 O14842 11/20 0.38
PPARD Q03181 6/20 0.38
HTR1A P08908 2/20 0.37
DRD2 P14416 2/20 0.37
HTR2A P28223 1/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 1/20 0.37
ADORA2A P29274 1/20 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
SCHEMBL25845452 0.86 PPARD (0.47) FFAR1PPARDPPARGPPARA
SCHEMBL25845431 0.86 PPARD (0.47) FFAR1PPARDPPARGPPARA
SCHEMBL25845564 0.84 CD274 (0.41) CD274MRGPRX4FFAR1PPARDHTR1A
SCHEMBL25845547 0.84 CD274 (0.44) CD274MRGPRX4FFAR1PPARDHTR1A
SCHEMBL25845538 0.84 CD274 (0.42) CD274MRGPRX4FFAR1PPARDHTR1A
SCHEMBL25845559 0.82 CD274 (0.40) CD274MRGPRX4FFAR1PPARDHTR1A
SCHEMBL25844242 0.82 PPARD (0.59) FFAR1PPARDPPARGPPARA
SCHEMBL25846116 0.82 PPARD (0.59) FFAR1PPARDPPARGPPARA
SCHEMBL25846272 0.80 CD274 (0.42) CD274MRGPRX4FFAR1PPARDPPARG
SCHEMBL25846291 0.80 MRGPRX4 (0.42) CD274MRGPRX4FFAR1PPARDPPARG

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