SCHEMBL8770706

SCHEMBL8770706

O=C1OCC(c2ccc(Cl)cc2)=C1c1ccccc1OCc1ccc(OC(F)(F)C(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.44
MAOA P21397 6/20 0.42
MAOB P27338 6/20 0.42
PTGS1 P23219 2/20 0.38
PTGS2 P35354 1/20 0.38
SLC6A4 P31645 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
SCHEMBL8770553 0.87 PTGER1 (0.53) PTGER1MAOAMAOBPTGS1PTGS2
SCHEMBL8770489 0.85 PTGER1 (0.47) PTGER1MAOAMAOBPTGS1PTGS2
SCHEMBL8770509 0.84 PTGER1 (0.58) PTGER1MAOAMAOBPTGS1PTGS2
SCHEMBL8770492 0.84 PTGER1 (0.58) PTGER1MAOAMAOBPTGS1PTGS2
SCHEMBL8770407 0.82 PTGER1 (0.49) PTGER1MAOAMAOBPTGS1PTGS2
SCHEMBL8770494 0.79 PTGER1 (0.60) PTGER1MAOAMAOB
SCHEMBL8770448 0.78 MAOA (0.51) PTGER1MAOAMAOBPTGS1PTGS2
SCHEMBL8770732 0.77 MAOA (0.47) PTGER1MAOAMAOBPTGS1PTGS2
SCHEMBL8770518 0.75 PTGS2 (0.44) PTGER1MAOAMAOBPTGS1PTGS2
SCHEMBL8770371 0.74 PTGER1 (0.47) PTGER1PTGS1PTGS2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0566175-B1 3,4-Diaryl (5H)-furan-2-one based compounds with fungicide activity MINI RICERCA SCIENT TECNOLOG (IT) 1997-08-06 EP disclosed
US-5371106-A Reacting arylacetic acid derivative with haloketone derivative in a solvent in presence of stoichiometric amount of base to form phenacyl ester derivative which is cyclized in situ by adding base MINISTERO DELL'UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECHNOLOGICA (IT) 1994-12-06 US disclosed
EP-0566175-A2 3,4-Diaryl (5H)-furan-2-one based compounds with fungicide activity MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1993-10-20 EP disclosed