SCHEMBL8004045

SCHEMBL8004045

CC=C(CC)Oc1c(OC(C)C)c(=O)n(CCCCCC)c2cc(NC(C)=O)ccc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
MAPT P10636 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
RORC P51449 1/20 0.36
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
TYMS P04818 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RGS12 O14924 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL8074569 0.90 NPC1 (0.47) NPC1MAPTMEN1KMT2APSEN1
SCHEMBL8076775 0.90 NPC1 (0.47) NPC1MAPTMEN1KMT2ATDP1
SCHEMBL8001310 0.90 NPC1 (0.46) NPC1MAPTMEN1KMT2APSEN1
SCHEMBL8081180 0.89 NPC1 (0.46) NPC1MAPTMEN1KMT2APSEN1
SCHEMBL7989479 0.87 NPC1 (0.49) NPC1MAPTMEN1KMT2ARORC
SCHEMBL7999999 0.87 NPC1 (0.48) NPC1MAPTMEN1KMT2ARORC
SCHEMBL7999253 0.87 NPC1 (0.48) NPC1MAPTMEN1KMT2ARORC
SCHEMBL7999048 0.85 KDM4E (0.37) NPC1MAPTMEN1KMT2APSEN1
SCHEMBL7997800 0.85 KDM4E (0.37) NPC1MAPTMEN1KMT2APSEN1
SCHEMBL8076784 0.85 NPC1 (0.50) NPC1MEN1KMT2ATYMSHTT

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