SCHEMBL5519647

SCHEMBL5519647

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.37
PTPN1 P18031 1/20 0.35
IMPDH2 P12268 3/20 0.35
CYP3A4 P08684 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
POLA1 P09884 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FKBP1A P62942 1/20 0.32
PEPD P12955 1/20 0.31
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
SCHEMBL4870352 0.93 HDAC8 (0.39) HDAC8PTPN1IMPDH2CYP3A4MAPT
SCHEMBL17973835 0.89 HDAC8 (0.38) HDAC8PTPN1IMPDH2CYP3A4MAPT
SCHEMBL5511877 0.88 HDAC8 (0.36) HDAC8SPHK1MEN1KMT2AALDH1A1
SCHEMBL16647803 0.85 IMPDH2 (0.38) HDAC8PTPN1IMPDH2CYP3A4MAPT
SCHEMBL16647822 0.85 HDAC8 (0.38) HDAC8PTPN1IMPDH2CYP3A4MAPT
SCHEMBL5519090 0.84 HDAC8 (0.38) HDAC8PTPN1IMPDH2CYP3A4MAPT
SCHEMBL5512726 0.84 HDAC8 (0.38) HDAC8PTPN1IMPDH2CYP3A4MAPT
SCHEMBL4872655 0.81 NR1H2 (0.37) HDAC8PTPN1IMPDH2CYP3A4MAPT
SCHEMBL6843843 0.81 NR1H2 (0.37) HDAC8PTPN1IMPDH2CYP3A4MAPT
SCHEMBL5511725 0.81 HDAC8 (0.35) HDAC8PTPN1IMPDH2CYP3A4MAPT

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