SCHEMBL8004791

SCHEMBL8004791

CCCCCCOc1c(OC(C)=O)c(=O)n(C)c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
ACHE P22303 1/20 0.45
CNR2 P34972 1/20 0.45
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP19A1 P11511 4/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
RECQL P46063 1/20 0.39
MGLL Q99685 1/20 0.38
KCNH2 Q12809 1/20 0.38
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL8004238 0.96 ALDH1A1 (0.42) CNR1ACHECNR2KDM4EALDH1A1
SCHEMBL7998924 0.91 CNR1 (0.51) CNR1ACHECNR2SMN1; SMN2MAPT
SCHEMBL7997356 0.91 CNR1 (0.51) CNR1ACHECNR2SMN1; SMN2MAPT
SCHEMBL7999941 0.90 CNR1 (0.44) CNR1ACHECNR2KDM4EALDH1A1
SCHEMBL8001179 0.90 CNR1 (0.46) CNR1ACHECNR2KDM4EALDH1A1
SCHEMBL7999860 0.90 CNR1 (0.46) CNR1ACHECNR2KDM4EALDH1A1
SCHEMBL7997250 0.90 CNR1 (0.50) CNR1ACHECNR2SMN1; SMN2MAPT
SCHEMBL7997649 0.90 CNR1 (0.50) CNR1ACHECNR2SMN1; SMN2MAPT
SCHEMBL7997847 0.90 CNR1 (0.50) CNR1ACHECNR2SMN1; SMN2MAPT
SCHEMBL7999962 0.89 CYSLTR2 (0.43) CNR1ACHECNR2KDM4EALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114352-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-09-05 US disclosed
EP-0785190-B1 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK & CHEMICALS (JP) 2000-08-16 EP disclosed
US-5942521-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-08-24 US disclosed
EP-0785190-A2 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1997-07-23 EP disclosed