SCHEMBL8474606

SCHEMBL8474606

CC(C)=CCOc1c(OC(C)C)c(=O)n(C)c2cc(NCc3ccccc3)ccc12.CCCCCCOc1c(OC(C)C)c(=O)n(C)c2cc(NCc3ccccc3)ccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.35
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
CASR P41180 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
APAF1 O14727 1/20 0.32
S1PR3 Q99500 1/20 0.32
CNR2 P34972 3/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
CNR1 P21554 1/20 0.32
MAOB P27338 1/20 0.32
MAPT P10636 3/20 0.31

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
SCHEMBL7999664 0.93 MAOB (0.36) ADRA2APPARGPPARACASRMAOB
SCHEMBL8001061 0.92 ADRA2A (0.41) ADRA2AHDAC11HDAC8PPARGPPARD
SCHEMBL7998987 0.90 ADRA2A (0.38) ADRA2AHDAC11HDAC8L3MBTL1APAF1
SCHEMBL8002068 0.88 ADRA2A (0.40) ADRA2ACASRL3MBTL1APAF1MAOB
SCHEMBL8001337 0.86 ALOX15 (0.38) MAPTMEN1ALDH1A1HPGDTSHR
SCHEMBL8001330 0.86 ALOX15 (0.38) MAPTMEN1ALDH1A1HPGDTSHR
SCHEMBL8079821 0.85 ADRA2A (0.43) ADRA2AHDAC11HDAC8PSEN1PSEN2
SCHEMBL8004450 0.85 ADRA2A (0.43) ADRA2AHDAC11HDAC8PSEN1PSEN2
SCHEMBL8002087 0.85 TP53 (0.33) L3MBTL1MAPTTP53GAASMN1; SMN2
SCHEMBL8000745 0.84 ADRA2A (0.44) ADRA2AHDAC11HDAC8L3MBTL1APAF1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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