SCHEMBL8770382

SCHEMBL8770382

O=C1OCC(c2ccc(Cl)cc2)=C1c1ccccc1OCc1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 6/20 0.48
PTGS1 P23219 4/20 0.45
PGR P06401 1/20 0.45
NR3C2 P08235 1/20 0.45
CYP2C9 P11712 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL8770386 0.86 PTGS1 (0.52) PTGS1PGRNR3C2PTGS2
SCHEMBL8770371 0.86 PTGER1 (0.47) PTGER1PTGS1PTGS2
SCHEMBL8770553 0.82 PTGER1 (0.53) PTGER1PTGS1CYP2C9CYP3A4CYP2C19
SCHEMBL8770492 0.82 PTGER1 (0.58) PTGER1PTGS1CYP2C9PTGS2
SCHEMBL8770509 0.79 PTGER1 (0.58) PTGER1PTGS1CYP2C9CYP3A4CYP2C19
SCHEMBL8770407 0.78 PTGER1 (0.49) PTGER1PTGS1PTGS2
SCHEMBL8770489 0.78 PTGER1 (0.47) PTGER1PTGS1PTGS2
SCHEMBL8770448 0.77 MAOA (0.51) PTGER1PTGS1PTGS2
SCHEMBL8770486 0.77 PTGER1 (0.46) PTGER1PTGS1PTGS2
SCHEMBL8770494 0.77 PTGER1 (0.60) PTGER1CYP2C9

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 4 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
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