SCHEMBL8770480

SCHEMBL8770480

O=C1OCC(c2ccccc2)=C1c1ccccc1CCc1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
PTGS1 P23219 3/20 0.44
PTGER1 P34995 1/20 0.41
PTGS2 P35354 7/20 0.40
ABCB11 O95342 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MT-CO2 P00403 1/20 0.40
HTR1A P08908 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
MC4R P32245 1/20 0.40
TBXA2R P21731 1/20 0.40
PTGFR P43088 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
PTGIR P43119 1/20 0.40
PTGDR Q13258 1/20 0.40
PDPK1 O15530 1/20 0.40
HPGD P15428 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
SCHEMBL8770727 0.83 PTGER1 (0.52) KMT2APTGS1PTGER1ALDH1A1HPGD
SCHEMBL8770728 0.82 KMT2A (0.45) KMT2APTGS1PTGS2ABCB11ALDH1A1
SCHEMBL8770371 0.78 PTGER1 (0.47) KMT2APTGS1PTGER1PTGS2
SCHEMBL8770468 0.77 KMT2A (0.40) KMT2APTGS1PTGER1PTGS2
SCHEMBL8770408 0.75 TP53 (0.42) KMT2APTGS1PTGS2
SCHEMBL6188862 0.74 KMT2A (0.79) KMT2APTGS1PTGS2ABCB11ALDH1A1
SCHEMBL8770374 0.72 MEN1 (0.53) KMT2APTGS1ALDH1A1HPGD
SCHEMBL8770486 0.72 PTGER1 (0.46) KMT2APTGS1PTGER1PTGS2
SCHEMBL27589548 0.70 KMT2A (0.53) KMT2APTGS1PTGS2ABCB11ALDH1A1
SCHEMBL5071823 0.70 KMT2A (1.00) KMT2APTGS1PTGS2ABCB11ALDH1A1

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