SCHEMBL8770518

SCHEMBL8770518

CC(COc1ccc(Cl)cc1)COc1ccccc1C1=C(c2ccc(Cl)cc2)COC1=O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.44
PTGS1 P23219 2/20 0.43
CYP19A1 P11511 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PTGER1 P34995 1/20 0.38
KMT2A Q03164 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
SCHEMBL8770448 0.85 MAOA (0.51) PTGS2PTGS1CYP19A1ESR1ESR2
SCHEMBL8770732 0.84 MAOA (0.47) PTGS2PTGS1CYP19A1ESR1ESR2
SCHEMBL8770553 0.80 PTGER1 (0.53) PTGS2PTGS1MAOAMAOBPTGER1
SCHEMBL8770492 0.79 PTGER1 (0.58) PTGS2PTGS1MAOAMAOBPTGER1
SCHEMBL8770509 0.77 PTGER1 (0.58) PTGS2PTGS1MAOAMAOBPTGER1
SCHEMBL8770486 0.76 PTGER1 (0.46) PTGS2PTGS1CYP19A1MAOAMAOB
SCHEMBL8770706 0.75 PTGER1 (0.44) PTGS2PTGS1MAOAMAOBPTGER1
SCHEMBL8770407 0.75 PTGER1 (0.49) PTGS2PTGS1MAOAMAOBPTGER1
SCHEMBL8770371 0.75 PTGER1 (0.47) PTGS2PTGS1PTGER1KMT2A
SCHEMBL8770489 0.73 PTGER1 (0.47) PTGS2PTGS1MAOAMAOBPTGER1

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