SCHEMBL3344796

SCHEMBL3344796

CCOC(=O)C(C)C(=O)Cc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
EPHX2 P34913 3/20 0.44
POLB P06746 3/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TNF P01375 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
CCR6 P51684 1/20 0.44
RUNX1 Q01196 1/20 0.44
CBFB Q13951 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NOD2 Q9HC29 1/20 0.44

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
SCHEMBL23686780 0.87 KMT2A (0.49) MAPTL3MBTL1NPC1RAB9APOLB
SCHEMBL3232085 0.85 MAPT (0.50) MAPTL3MBTL1NPC1RAB9AEPHX2
SCHEMBL622072 0.84 MAPT (0.49) MAPTL3MBTL1NPC1RAB9AEPHX2
SCHEMBL5330174 0.83 TSHR (0.50) MAPTL3MBTL1NPC1POLBALDH1A1
SCHEMBL622989 0.83 MAPT (0.48) MAPTL3MBTL1NPC1RAB9AEPHX2
SCHEMBL703931 0.78 MAPT (0.72) MAPTL3MBTL1NPC1RAB9APOLB
SCHEMBL7823277 0.77 NPC1 (0.50) MAPTL3MBTL1NPC1RAB9APOLB
SCHEMBL2551616 0.77 EPHX2 (0.52) MAPTEPHX2ALDH1A1LMNATDP1
SCHEMBL2672619 0.75 MMP8 (0.54) MAPTNPC1RAB9AEPHX2ALDH1A1
SCHEMBL5808567 0.75 MAPT (0.52) MAPTL3MBTL1NPC1RAB9APOLB

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
WO-2010040989-A1 QUINOLIN-2-ONE COMPOUNDS ARGENTA ORAL THERAPEUTICS LIMITED (GB) 2010-04-15 WO disclosed