SCHEMBL8002087

SCHEMBL8002087

CCCCNc1ccc2c(OCC=C(C)C)c(OC(C)C)c(=O)n(C)c2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
AR P10275 1/20 0.33
BRPF1 P55201 1/20 0.33
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.32
ACHE P22303 1/20 0.32
CYP1B1 Q16678 1/20 0.32
ATM Q13315 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
KEAP1 Q14145 1/20 0.32
PLEC Q15149 1/20 0.32
NFE2L2 Q16236 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TLR9 Q9NR96 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
SCHEMBL7988349 0.92 TDP1 (0.39) ALDH1A1ATMMEN1MAPK1KMT2A
SCHEMBL7988343 0.92 TDP1 (0.39) ALDH1A1ATMMEN1MAPK1KMT2A
SCHEMBL7997493 0.90 MAPT (0.37) TP53ARLMNAALDH1A1ACHE
SCHEMBL7997501 0.90 ALDH1A1 (0.34) TP53ARLMNAALDH1A1ACHE
SCHEMBL7997246 0.88 AR (0.33) TP53ARLMNAALDH1A1ACHE
SCHEMBL7997675 0.88 AR (0.31) ARLMNAALDH1A1ACHECYP1B1
SCHEMBL7999577 0.87 AR (0.36) TP53ARBRPF1LMNAALDH1A1
SCHEMBL7998191 0.86 ABL1 (0.33) TP53ARLMNAALDH1A1ACHE
SCHEMBL7999677 0.85 AR (0.35) TP53ARBRPF1LMNAALDH1A1
SCHEMBL8474606 0.85 ADRA2A (0.35) TP53LMNAALDH1A1MEN1KMT2A

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