SCHEMBL13799119

SCHEMBL13799119

CC(=O)CCOCCNc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.40
TOP2A P11388 1/20 0.40
CYP2C9 P11712 1/20 0.40
TOP2B Q02880 1/20 0.40
GSK3B P49841 4/20 0.39
PIK3CG P48736 4/20 0.38
PIK3CD O00329 2/20 0.38
PIK3R1 P27986 2/20 0.38
PIK3CA P42336 2/20 0.38
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL335178 0.93 KDM4E (0.42) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10243103 0.92 KDM4E (0.42) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL3809995 0.92 KDM4E (0.41) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL3812467 0.90 KDM4E (0.42) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL3819773 0.89 KDM4E (0.44) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL14030160 0.88 GSK3B (0.44) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL3810694 0.88 KDM4E (0.43) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL4388089 0.88 KDM4E (0.43) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL14030161 0.88 KDM4E (0.42) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL14048286 0.88 KDM4E (0.42) KDM4EALDH1A1LMNAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547679-B2 Ether linked macrolides useful for the treatment of microbial infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O (HR) 2009-06-16 US disclosed
US-7547679-B2 Ether linked macrolides useful for the treatment of microbial infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O (HR) 2009-06-16 US disclosed