SCHEMBL8001104

SCHEMBL8001104

CCCCCCOc1c(OCCCC)c(=O)n(C)c2cc(NCCCC)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.38
ABL1 P00519 2/20 0.36
UNG P13051 2/20 0.36
ATM Q13315 2/20 0.35
CRBN Q96SW2 1/20 0.35
CYP1A2 P05177 1/20 0.35
ADRA2A P08913 1/20 0.35
GSK3B P49841 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL7988945 1.00 AR (0.38) ARABL1UNGATMCRBN
SCHEMBL8000560 0.99 AR (0.39) ARABL1UNGATMCRBN
SCHEMBL7988276 0.98 ABL1 (0.39) ARABL1UNGATMADRA2A
SCHEMBL7998318 0.97 ABL1 (0.40) ARABL1UNGATMCRBN
SCHEMBL8001557 0.96 AR (0.40) ARATMCRBNCYP1A2ADRA2A
SCHEMBL8004435 0.93 AR (0.37) ARABL1ATMCRBNCYP1A2
SCHEMBL7997315 0.93 AR (0.37) ARABL1ATMCRBNCYP1A2
SCHEMBL7998926 0.91 ABL1 (0.38) ARABL1ATMADRA2AGSK3B
SCHEMBL8004390 0.91 AR (0.38) ARATMCRBNCYP1A2NPC1
SCHEMBL7999677 0.91 AR (0.35) ARABL1ATMCRBNCYP1A2

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