SCHEMBL7998026

SCHEMBL7998026

CCCCCCOc1c(OC)c2ccc(NCC=C(C)CCC=C(C)C)cc2n(CCCC)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.34
NPC1 O15118 1/20 0.34
CNR2 P34972 1/20 0.33
PGR P06401 4/20 0.33
RORA P35398 2/20 0.33
RORC P51449 2/20 0.33
RORB Q92753 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
KDM4E B2RXH2 3/20 0.32
MAPK1 P28482 3/20 0.32
CYP3A4 P08684 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP2E1 P05181 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 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
SCHEMBL8076783 1.00 BACE1 (0.34) BACE1NPC1CNR2PGRRORA
SCHEMBL7998023 1.00 BACE1 (0.34) BACE1NPC1CNR2PGRRORA
SCHEMBL8076781 1.00 BACE1 (0.34) BACE1NPC1CNR2PGRRORA
SCHEMBL7997238 0.96 NPC1 (0.35) BACE1NPC1CNR2PSEN1PSEN2
SCHEMBL7999265 0.96 NPC1 (0.35) BACE1NPC1CNR2PSEN1PSEN2
SCHEMBL7997241 0.96 NPC1 (0.35) BACE1NPC1CNR2PSEN1PSEN2
SCHEMBL7999269 0.96 NPC1 (0.35) BACE1NPC1CNR2PSEN1PSEN2
SCHEMBL8000543 0.95 NPC1 (0.35) BACE1NPC1CNR2PGRPSEN1
SCHEMBL8001379 0.95 NPC1 (0.35) BACE1NPC1CNR2PGRPSEN1
SCHEMBL8000539 0.95 NPC1 (0.35) BACE1NPC1CNR2PGRPSEN1

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