SCHEMBL8770384

SCHEMBL8770384

O=C1OCC(c2ccc(Cl)cc2)=C1c1ccc(Cl)c(OCc2ccccc2)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.47
MAOA P21397 5/20 0.43
MAOB P27338 5/20 0.43
KMT2A Q03164 1/20 0.42
PTGS1 P23219 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
CNR1 P21554 1/20 0.38

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
SCHEMBL8770389 0.85 PTGER1 (0.47) PTGER1MAOAMAOBKMT2APTGS1
SCHEMBL8770492 0.82 PTGER1 (0.58) PTGER1MAOAMAOBKMT2APTGS1
SCHEMBL8770413 0.79 PTGER1 (0.52) PTGER1MAOAMAOBKMT2A
SCHEMBL8770553 0.78 PTGER1 (0.53) PTGER1MAOAMAOBKMT2APTGS1
SCHEMBL8770509 0.77 PTGER1 (0.58) PTGER1MAOAMAOBKMT2APTGS1
SCHEMBL8770468 0.75 KMT2A (0.40) PTGER1MAOAMAOBKMT2APTGS1
SCHEMBL8770407 0.74 PTGER1 (0.49) PTGER1MAOAMAOBPTGS1
SCHEMBL6188862 0.72 KMT2A (0.79) KMT2APTGS1
SCHEMBL8770489 0.72 PTGER1 (0.47) PTGER1MAOAMAOBPTGS1
SCHEMBL3981310 0.71 KMT2A (0.68) KMT2APTGS1

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 claimed
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 claimed
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