SCHEMBL11751676

SCHEMBL11751676

CCCN(CCC)CC(=O)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.53
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 3/20 0.47
AGTR1 P30556 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 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
SCHEMBL11748535 0.88 THRA (0.49) GSK3BALDH1A1MAPTKDM4EAGTR1
SCHEMBL11745793 0.87 KCNH2 (0.51) GSK3BKCNH2
SCHEMBL11749468 0.87 KCNH2 (0.51) GSK3BKCNH2
SCHEMBL11752956 0.85 MAPT (0.64) GSK3BALDH1A1MAPTKDM4EAGTR1
SCHEMBL4097123 0.81 MAPT (0.59) GSK3BALDH1A1MAPTKDM4EAGTR1
SCHEMBL10747712 0.78 GSK3B (0.49) GSK3BALDH1A1MAPTKDM4EAGTR1
SCHEMBL8132385 0.77 ALDH1A1 (0.61) GSK3BALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL5953952 0.75 GSK3B (0.53) GSK3BALDH1A1MAPTKDM4EAGTR1
SCHEMBL318783 0.75 HSD17B3 (0.67) GSK3BMAPTL3MBTL1NPC1RAB9A
SCHEMBL25405722 0.75 KMT2A (0.49) GSK3BNPC1RAB9A

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-4048034-A Photopolymerization using an alpha-aminoacetophenone UOP INC. (US) 1977-09-13 US disclosed