SCHEMBL8770409

SCHEMBL8770409

O=C1OCC(c2ccc(Cl)cc2)=C1c1ccc(OCc2ccc(Br)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.52
MAOA P21397 3/20 0.52
APP P05067 2/20 0.46
PTGS1 P23219 1/20 0.44
KMT2A Q03164 1/20 0.42
NR4A2 P43354 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42

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 0.84 PTGER1 (0.49) MAOBMAOAPTGS1
SCHEMBL8770374 0.79 MEN1 (0.53) MAOBMAOAPTGS1KMT2ANR4A2
SCHEMBL8770413 0.78 PTGER1 (0.52) MAOBMAOAKMT2A
SCHEMBL3981310 0.77 KMT2A (0.68) PTGS1KMT2A
SCHEMBL8770553 0.77 PTGER1 (0.53) MAOBMAOAPTGS1KMT2ARXRA
SCHEMBL1558316 0.77 PTGS1 (0.64) MAOBMAOAPTGS1KMT2A
SCHEMBL1556919 0.76 KMT2A (0.51) MAOBMAOAPTGS1KMT2A
SCHEMBL28741980 0.75 PTGS1 (0.74) PTGS1KMT2A
SCHEMBL8770386 0.75 PTGS1 (0.52) MAOBPTGS1
SCHEMBL8770492 0.74 PTGER1 (0.58) MAOBMAOAPTGS1KMT2A

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