SCHEMBL8770486

SCHEMBL8770486

O=C1OCC(c2ccc(Cl)cc2)=C1c1ccccc1OCCOc1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.46
PTGS2 P35354 2/20 0.43
S1PR4 O95977 3/20 0.42
CYP19A1 P11511 2/20 0.41
PTGS1 P23219 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
XBP1 P17861 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39

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 0.87 MAOA (0.51) PTGER1PTGS2CYP19A1PTGS1MAOA
SCHEMBL8770371 0.86 PTGER1 (0.47) PTGER1PTGS2PTGS1KMT2A
SCHEMBL8770732 0.84 MAOA (0.47) PTGER1PTGS2CYP19A1PTGS1MAOA
SCHEMBL8770553 0.81 PTGER1 (0.53) PTGER1PTGS2PTGS1MAOAMAOB
SCHEMBL8770727 0.81 PTGER1 (0.52) PTGER1PTGS1KMT2AMAPT
SCHEMBL8770492 0.81 PTGER1 (0.58) PTGER1PTGS2PTGS1MAOAMAOB
SCHEMBL8770509 0.78 PTGER1 (0.58) PTGER1PTGS2PTGS1MAOAMAOB
SCHEMBL8770494 0.78 PTGER1 (0.60) PTGER1MAOAMAOBLMNA
SCHEMBL8770407 0.77 PTGER1 (0.49) PTGER1PTGS2PTGS1MAOAMAOB
SCHEMBL8770382 0.77 PTGER1 (0.48) PTGER1PTGS2PTGS1

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