SCHEMBL27413865

SCHEMBL27413865

C=CC(C)=CNc1ccc2c(O)c(OCCCCCCCC)c(=O)n(C)c2c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CNR2 P34972 1/20 0.33
MAPT P10636 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
SCHEMBL7999736 0.83 GSK3B (0.39) GSK3BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6579035 0.82 NPC1 (0.46) GSK3BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8004439 0.81 KDM4E (0.42) GSK3BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8001709 0.81 KDM4E (0.42) GSK3BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7997067 0.81 GSK3B (0.39) GSK3BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6582560 0.78 ALDH1A1 (0.46) GSK3BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6581314 0.78 KDM4E (0.41) GSK3BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6581007 0.77 ALDH1A1 (0.46) GSK3BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7997782 0.77 GSK3B (0.39) GSK3BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8001220 0.77 KDM4E (0.43) GSK3BKDM4EALDH1A1HPGDHSD17B10

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
CN-1158265-C Quinoline ketone derivant and antianaphylaction using same as active substance ���ձ���ī��ѧ��ҵ��ʽ���� 2004-07-21 CN disclosed
CN-1095834-C Quinolinone derivatives and antiallergic agent containing said quinolinone derivatives as active ingredient DAINIPPON INK & CHEMICALS (JP) 2002-12-11 CN disclosed
CN-1275564-A Quinoline ketone derivant and antianaphylaction using same as active substance DAINIPPON INK & CHEMICALS (JP) 2000-12-06 CN disclosed
CN-1163268-A Quinolinone derivatives and antiallergic agent containing said quinolinone derivatives as active ingredient LAINIPPON INK AND CHEMICALC IN (JP) 1997-10-29 CN disclosed