SCHEMBL8770468

SCHEMBL8770468

O=C1OCC(c2ccc(Cl)cc2)=C1c1ccccc1COc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
PTGER1 P34995 1/20 0.39
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
FFAR4 Q5NUL3 2/20 0.36
FFAR1 O14842 1/20 0.36
CYP19A1 P11511 3/20 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
SCHEMBL8770727 0.83 PTGER1 (0.52) KMT2APTGER1PTGS1
SCHEMBL8770371 0.81 PTGER1 (0.47) KMT2APTGER1PTGS2PTGS1
SCHEMBL8770480 0.77 KMT2A (0.50) KMT2APTGER1PTGS2PTGS1
SCHEMBL8770728 0.76 KMT2A (0.45) KMT2APTGS2PTGS1MAOAMAOB
SCHEMBL8770374 0.76 MEN1 (0.53) KMT2APTGS1MAOAMAOBFFAR1
SCHEMBL8770486 0.76 PTGER1 (0.46) KMT2APTGER1PTGS2PTGS1MAOA
SCHEMBL8770384 0.75 PTGER1 (0.47) KMT2APTGER1PTGS1MAOAMAOB
SCHEMBL8770382 0.74 PTGER1 (0.48) PTGER1PTGS2PTGS1
SCHEMBL8770553 0.74 PTGER1 (0.53) KMT2APTGER1PTGS2PTGS1MAOA
SCHEMBL8770492 0.74 PTGER1 (0.58) KMT2APTGER1PTGS2PTGS1MAOA

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