SCHEMBL7998934

SCHEMBL7998934

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
MAPT P10636 7/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.35
CFTR P13569 1/20 0.34
CYP19A1 P11511 2/20 0.34
NOX4 Q9NPH5 1/20 0.34
KDR P35968 1/20 0.34
ALDH1A1 P00352 4/20 0.33
NPC1 O15118 1/20 0.33
NPBWR1 P48145 1/20 0.33
RAB9A P51151 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL8001657 0.91 CNR1 (0.38) CYP1A2MAPTKMT2AMEN1LMNA
SCHEMBL8000877 0.89 CYP1A2 (0.36) CYP1A2MAPTKMT2AMEN1LMNA
SCHEMBL7997382 0.89 MEN1 (0.42) CYP1A2MAPTKMT2AMEN1LMNA
SCHEMBL8001236 0.89 MEN1 (0.42) CYP1A2MAPTKMT2AMEN1LMNA
SCHEMBL7989005 0.89 CYP1A2 (0.44) CYP1A2MAPTKMT2AMEN1LMNA
SCHEMBL7998760 0.87 CYP1A2 (0.43) CYP1A2MAPTKMT2AMEN1LMNA
SCHEMBL7997465 0.87 CYP1A2 (0.43) CYP1A2MAPTKMT2AMEN1LMNA
SCHEMBL8001548 0.86 CYP1A2 (0.45) CYP1A2MAPTKMT2AMEN1LMNA
SCHEMBL8000567 0.85 CNR1 (0.42) CYP1A2MAPTKMT2AMEN1LMNA
SCHEMBL8004464 0.85 CYP1A2 (0.38) CYP1A2MAPTKMT2AMEN1LMNA

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