SCHEMBL8770727

SCHEMBL8770727

O=C1OCC(c2ccccc2)=C1c1ccccc1COc1ccc(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.52
MRGPRX4 Q96LA9 8/20 0.50
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
STAT3 P40763 1/20 0.45
STAT1 P42224 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CD274 Q9NZQ7 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGDR2 Q9Y5Y4 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
SCHEMBL8770468 0.83 KMT2A (0.40) PTGER1KMT2APTGS1
SCHEMBL8770480 0.83 KMT2A (0.50) PTGER1HPGDKMT2AALDH1A1PTGS1
SCHEMBL8770371 0.83 PTGER1 (0.47) PTGER1L3MBTL1KMT2APOLBMEN1
SCHEMBL8770486 0.81 PTGER1 (0.46) PTGER1KMT2AMAPTPTGS1
SCHEMBL8770509 0.77 PTGER1 (0.58) PTGER1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL8770492 0.75 PTGER1 (0.58) PTGER1KMT2APTGS1
SCHEMBL8770494 0.75 PTGER1 (0.60) PTGER1SMN1; SMN2POLBALDH1A1
SCHEMBL8770382 0.74 PTGER1 (0.48) PTGER1PTGS1
SCHEMBL8770553 0.74 PTGER1 (0.53) PTGER1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL8770374 0.73 MEN1 (0.53) HPGDSMN1; SMN2KMT2AMEN1ALDH1A1

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