SCHEMBL7999941

SCHEMBL7999941

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.44
ACHE P22303 1/20 0.44
CNR2 P34972 1/20 0.44
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
CYP19A1 P11511 4/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.37
MGLL Q99685 1/20 0.37
PKM P14618 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
KCNH2 Q12809 1/20 0.37
HPGD P15428 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
SCHEMBL8001179 0.98 CNR1 (0.46) CNR1ACHECNR2MEN1MAPT
SCHEMBL7999860 0.98 CNR1 (0.46) CNR1ACHECNR2MEN1MAPT
SCHEMBL8004131 0.96 MEN1 (0.46) CNR1ACHECNR2MEN1MAPT
SCHEMBL8004355 0.96 MEN1 (0.46) CNR1ACHECNR2MEN1MAPT
SCHEMBL8004579 0.96 CNR1 (0.41) CNR1ACHECNR2MEN1MAPT
SCHEMBL7999962 0.93 CYSLTR2 (0.43) CNR1ACHECNR2MEN1MAPT
SCHEMBL8004856 0.92 MAPT (0.46) CNR1ACHECNR2MEN1MAPT
SCHEMBL7999130 0.92 MAPT (0.46) CNR1ACHECNR2MEN1MAPT
SCHEMBL7997731 0.92 MAPT (0.41) CNR1ACHECNR2MEN1MAPT
SCHEMBL7997236 0.91 CNR1 (0.49) CNR1ACHECNR2MEN1MAPT

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