SCHEMBL8770728

SCHEMBL8770728

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
PTGS2 P35354 9/20 0.43
PTGS1 P23219 4/20 0.43
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ABCB11 O95342 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MT-CO2 P00403 1/20 0.39
HTR1A P08908 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
MC4R P32245 1/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 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
SCHEMBL8770408 0.91 TP53 (0.42) KMT2APTGS2PTGS1MAOAMAOB
SCHEMBL8770480 0.82 KMT2A (0.50) KMT2APTGS2PTGS1ABCB11ALDH1A1
SCHEMBL8770553 0.78 PTGER1 (0.53) KMT2APTGS2PTGS1MAOAMAOB
SCHEMBL3981310 0.77 KMT2A (0.68) KMT2APTGS2PTGS1ABCB11ALDH1A1
SCHEMBL8770468 0.76 KMT2A (0.40) KMT2APTGS2PTGS1MAOAMAOB
SCHEMBL6188862 0.76 KMT2A (0.79) KMT2APTGS2PTGS1ABCB11ALDH1A1
SCHEMBL8770509 0.74 PTGER1 (0.58) KMT2APTGS2PTGS1MAOAMAOB
SCHEMBL8770492 0.74 PTGER1 (0.58) KMT2APTGS2PTGS1MAOAMAOB
SCHEMBL8770407 0.73 PTGER1 (0.49) PTGS2PTGS1MAOAMAOBALDH1A1
SCHEMBL27501283 0.72 KMT2A (0.45) KMT2APTGS2PTGS1ABCB11ALDH1A1

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