SCHEMBL7997659

SCHEMBL7997659

C=CCOc1c(OCCCCCC)c2ccc(NCC)cc2[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.41
MAPT P10636 5/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 7/20 0.40
AR P10275 4/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.38
G6PD P11413 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SERPINE1 P05121 1/20 0.36
GPR17 Q13304 1/20 0.36
UNG P13051 2/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MAOA P21397 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL7999421 0.96 KDM4E (0.43) GAAMAPTKMT2AMEN1LMNA
SCHEMBL7997203 0.92 AR (0.45) MAPTHTTKDM4EARALDH1A1
SCHEMBL8001562 0.92 AR (0.45) MAPTHTTKDM4EARALDH1A1
SCHEMBL7998801 0.90 AR (0.44) MAPTKDM4EARALDH1A1SERPINE1
SCHEMBL8001153 0.90 AR (0.44) MAPTKDM4EARALDH1A1SERPINE1
SCHEMBL7988485 0.90 AR (0.44) MAPTKDM4EARALDH1A1SERPINE1
SCHEMBL7997537 0.88 AR (0.38) GAAMAPTLMNAKDM4EAR
SCHEMBL8000806 0.88 AR (0.38) GAAMAPTLMNAKDM4EAR
SCHEMBL8004560 0.87 AR (0.47) MAPTLMNAHTTKDM4EAR
SCHEMBL8000879 0.86 AR (0.43) GAAMAPTKDM4EARALDH1A1

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