SCHEMBL8770408

SCHEMBL8770408

O=C1OCC(c2ccc(Cl)cc2)=C1c1ccccc1CCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
PTGS1 P23219 1/20 0.39
KMT2A Q03164 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PTGS2 P35354 2/20 0.37
KCNH2 Q12809 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
DAO P14920 1/20 0.36
CNR1 P21554 2/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35

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
SCHEMBL8770728 0.91 KMT2A (0.45) PTGS1KMT2AFFAR1FFAR4PTGS2
SCHEMBL8770489 0.81 PTGER1 (0.47) TP53MAPTPTGS1PTGS2MAOA
SCHEMBL8770480 0.75 KMT2A (0.50) PTGS1KMT2APTGS2
SCHEMBL8770553 0.71 PTGER1 (0.53) MAPTPTGS1KMT2APTGS2MAOA
SCHEMBL3981310 0.70 KMT2A (0.68) PTGS1KMT2APTGS2
SCHEMBL8770468 0.70 KMT2A (0.40) PTGS1KMT2AFFAR1FFAR4PTGS2
SCHEMBL6188862 0.69 KMT2A (0.79) MAPTPTGS1KMT2APTGS2
SCHEMBL8770492 0.68 PTGER1 (0.58) PTGS1KMT2APTGS2MAOAMAOB
SCHEMBL8770509 0.68 PTGER1 (0.58) MAPTPTGS1KMT2APTGS2MAOA
SCHEMBL8770706 0.68 PTGER1 (0.44) PTGS1PTGS2MAOAMAOB

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