SCHEMBL8770413

SCHEMBL8770413

O=C1OCC(c2ccc(Cl)cc2)=C1c1ccc(Br)cc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.52
CCR5 P51681 5/20 0.44
MAOA P21397 3/20 0.44
MAOB P27338 3/20 0.44
LRRK2 Q5S007 1/20 0.41
SLC6A4 P31645 2/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL8770407 0.87 PTGER1 (0.49) PTGER1CCR5MAOAMAOB
SCHEMBL8770492 0.87 PTGER1 (0.58) PTGER1MAOAMAOBKMT2A
SCHEMBL8770553 0.83 PTGER1 (0.53) PTGER1MAOAMAOBKMT2A
SCHEMBL8770509 0.82 PTGER1 (0.58) PTGER1MAOAMAOBKMT2A
SCHEMBL8770389 0.79 PTGER1 (0.47) PTGER1MAOAMAOBKMT2A
SCHEMBL8770384 0.79 PTGER1 (0.47) PTGER1MAOAMAOBKMT2A
SCHEMBL8770409 0.78 MAOB (0.52) MAOAMAOBKMT2A
SCHEMBL8770494 0.78 PTGER1 (0.60) PTGER1MAOAMAOB
SCHEMBL8770489 0.76 PTGER1 (0.47) PTGER1MAOAMAOBSLC6A4
SCHEMBL8770371 0.74 PTGER1 (0.47) PTGER1KMT2A

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