SCHEMBL5519090

SCHEMBL5519090

CCCCC1(O)CC(C(=O)OC)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.38
IMPDH2 P12268 3/20 0.37
SPHK1 Q9NYA1 1/20 0.36
PTPN1 P18031 1/20 0.35
MAPK1 P28482 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
POLA1 P09884 1/20 0.33
CYP3A4 P08684 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FKBP1A P62942 1/20 0.33
PEPD P12955 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL5512726 1.00 HDAC8 (0.38) HDAC8IMPDH2SPHK1PTPN1MAPK1
SCHEMBL2380326 0.87 IMPDH2 (0.39) HDAC8IMPDH2SPHK1PTPN1MAPK1
SCHEMBL2380328 0.87 IMPDH2 (0.39) HDAC8IMPDH2SPHK1PTPN1MAPK1
SCHEMBL16774639 0.85 IMPDH2 (0.39) HDAC8IMPDH2PTPN1MAPK1NR1H2
SCHEMBL16774503 0.85 IMPDH2 (0.39) HDAC8IMPDH2PTPN1MAPK1NR1H2
SCHEMBL16635559 0.85 IMPDH2 (0.39) HDAC8IMPDH2PTPN1MAPK1NR1H2
SCHEMBL16647818 0.85 IMPDH2 (0.39) HDAC8IMPDH2PTPN1MAPK1NR1H2
SCHEMBL5519647 0.84 HDAC8 (0.37) HDAC8IMPDH2SPHK1PTPN1MAPK1
SCHEMBL16774547 0.84 HDAC8 (0.40) HDAC8IMPDH2PTPN1MAPK1NR1H2
SCHEMBL16774546 0.84 HDAC8 (0.40) HDAC8IMPDH2PTPN1MAPK1NR1H2

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-7199105-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-04-03 US disclosed
US-7164011-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-01-16 US disclosed