SCHEMBL6581046

SCHEMBL6581046

CCCCCCCCOCC(=O)N(C)c1cc(NC(=O)C=Cc2cc(OC)c(O)c(OC)c2)ccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 14/20 0.44
ACHE P22303 13/20 0.44
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
THRB P10828 1/20 0.41
HTR1A P08908 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6581043 1.00 BCHE (0.44) BCHEACHEMAPTTP53THRB
SCHEMBL8308722 0.94 BCHE (0.44) BCHEACHEMAPTTP53THRB
SCHEMBL6579642 0.94 TP53 (0.42) BCHEACHEMAPTTP53THRB
SCHEMBL6579640 0.94 TP53 (0.42) BCHEACHEMAPTTP53THRB
SCHEMBL8308726 0.94 BCHE (0.44) BCHEACHEMAPTTP53THRB
SCHEMBL6577201 0.93 ALOX5 (0.44) BCHEACHEMAPTTP53THRB
SCHEMBL6577205 0.93 ALOX5 (0.44) BCHEACHEMAPTTP53THRB
SCHEMBL6578709 0.93 TP53 (0.46) BCHEACHEMAPTTP53THRB
SCHEMBL6578711 0.93 TP53 (0.46) BCHEACHEMAPTTP53THRB
SCHEMBL6579121 0.93 TP53 (0.46) BCHEACHEMAPTTP53THRB

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-0927718-B1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK & CHEMICALS (JP) 2004-02-25 EP disclosed
US-6136822-A ETHER, HYDROXY QUINOLINONE COMPOUNDS DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-10-24 US disclosed
EP-0927718-A1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-07-07 EP disclosed