SCHEMBL8770374

SCHEMBL8770374

O=C1OCC(c2ccc(Cl)cc2)=C1c1ccc(OCc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NR4A2 P43354 2/20 0.50
PTPN1 P18031 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
NCOA1 Q15788 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
NR4A1 P22736 1/20 0.44
NR4A3 Q92570 1/20 0.44
FFAR1 O14842 4/20 0.44
PTGS1 P23219 1/20 0.44
S1PR1 P21453 1/20 0.44
LTK P29376 1/20 0.44
TAOK1 Q7L7X3 1/20 0.44
S1PR5 Q9H228 1/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
HPGD P15428 1/20 0.43

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 0.84 PTGS1 (0.52) PTGS1MAOB
SCHEMBL8770371 0.84 PTGER1 (0.47) MEN1KMT2ANCOA1NCOA3PTGS1
SCHEMBL8770409 0.79 MAOB (0.52) KMT2ANR4A2PTGS1MAOAMAOB
SCHEMBL3981310 0.77 KMT2A (0.68) KMT2AALDH1A1PTGS1
SCHEMBL8770468 0.76 KMT2A (0.40) KMT2AFFAR1PTGS1MAOAMAOB
SCHEMBL6188862 0.73 KMT2A (0.79) MEN1KMT2AALDH1A1MAPTPTGS1
SCHEMBL8770727 0.73 PTGER1 (0.52) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL8770480 0.72 KMT2A (0.50) KMT2AALDH1A1PTGS1HPGD
SCHEMBL6326819 0.72 NR4A2 (0.63) MEN1KMT2ANR4A2PTPN1ALDH1A1
SCHEMBL8770448 0.71 MAOA (0.51) KMT2APTGS1MAOAMAOB

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 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