SCHEMBL8000875

SCHEMBL8000875

CC(C)=CCOc1c(OC(C)C)c(=O)n(C)c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 2/20 0.35
POLB P06746 1/20 0.35
CYP19A1 P11511 2/20 0.34
LMNA P02545 3/20 0.34
ALDH1A1 P00352 2/20 0.34
ACHE P22303 1/20 0.34
CYP1B1 Q16678 1/20 0.34
PDE4A P27815 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
CYP1A2 P05177 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
F2R P25116 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
SCHEMBL8004483 0.92 TDP1 (0.41) MAPTMAPK1POLBALDH1A1L3MBTL1
SCHEMBL8004489 0.92 TDP1 (0.41) MAPTMAPK1POLBALDH1A1L3MBTL1
SCHEMBL8001120 0.89 MAPT (0.39) MAPTMAPK1HTTPOLBLMNA
SCHEMBL7998932 0.88 CYP1A2 (0.41) MAPTMAPK1CYP19A1LMNAALDH1A1
SCHEMBL8001653 0.87 MAPT (0.37) MAPTPOLBLMNAALDH1A1ACHE
SCHEMBL7988407 0.87 MAPT (0.36) MAPTMAPK1HTTPOLBLMNA
SCHEMBL7997575 0.87 ALDH1A1 (0.39) MAPTMAPK1HTTPOLBLMNA
SCHEMBL7998950 0.87 HTR1A (0.37) MAPTMAPK1HTTPOLBLMNA
SCHEMBL7997268 0.85 MAPT (0.39) MAPTMAPK1HTTPOLBLMNA
SCHEMBL7997380 0.85 MEN1 (0.42) MAPTLMNAALDH1A1ACHEMEN1

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