SCHEMBL7999006

SCHEMBL7999006

CC=C(CC)Oc1c(OCC(C)CCC)c(=O)n(CCCCCCCC)c2cc(NCc3ccccc3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.40
PSEN1 P49768 8/20 0.36
PSEN2 P49810 8/20 0.36
APH1B Q8WW43 8/20 0.36
NCSTN Q92542 8/20 0.36
APH1A Q96BI3 8/20 0.36
PSENEN Q9NZ42 8/20 0.36
KDM4E B2RXH2 3/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 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
SCHEMBL8079823 0.90 ADRA2A (0.44) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL8004452 0.90 ADRA2A (0.44) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL7999747 0.89 ADRA2A (0.43) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL8002274 0.89 ADRA2A (0.43) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL7988797 0.89 ADRA2A (0.43) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL7997374 0.88 MEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8002143 0.87 KDM4E (0.44) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL7999001 0.87 ADRA2A (0.40) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL8076370 0.87 ADRA2A (0.42) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL7989443 0.85 ADRA2A (0.46) ADRA2APSEN1PSEN2APH1BNCSTN

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 3 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
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