SCHEMBL8000877

SCHEMBL8000877

CC=C(CC)Oc1c(OC(C)C)c(=O)n(C)c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
MAPT P10636 10/20 0.35
CNR1 P21554 1/20 0.35
ACHE P22303 1/20 0.35
CNR2 P34972 1/20 0.35
CYP19A1 P11511 2/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR2A P28223 1/20 0.33
F2R P25116 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL7998934 0.89 CYP1A2 (0.42) CYP1A2MAPTCYP19A1LMNAMAPK1
SCHEMBL8001123 0.89 CYP1A2 (0.38) CYP1A2MAPTCNR1ACHECNR2
SCHEMBL8001657 0.88 CNR1 (0.38) CYP1A2MAPTCNR1ACHECNR2
SCHEMBL7997580 0.87 ALDH1A1 (0.42) CYP1A2MAPTCNR1ACHECNR2
SCHEMBL7988414 0.87 CYP1A2 (0.36) CYP1A2MAPTCNR1ACHECNR2
SCHEMBL8001236 0.86 MEN1 (0.42) CYP1A2MAPTCNR1ACHECNR2
SCHEMBL7997382 0.86 MEN1 (0.42) CYP1A2MAPTCNR1ACHECNR2
SCHEMBL8000691 0.85 CYP1A2 (0.38) CYP1A2MAPTCNR1ACHECNR2
SCHEMBL7999732 0.85 CNR1 (0.45) CYP1A2MAPTCNR1ACHECNR2
SCHEMBL8000764 0.85 CNR2 (0.38) CYP1A2MAPTCNR1ACHECNR2

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