SCHEMBL8722167

SCHEMBL8722167

N[C@@H](CC(=O)NCC(=O)O)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
PTGS2 P35354 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTPN1 P18031 1/20 0.33
FAAH O00519 3/20 0.33
PTGS1 P23219 1/20 0.33
GSTK1 Q9Y2Q3 1/20 0.33
ITGB1 P05556 1/20 0.32
ITGA5 P08648 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
ECE1 P42892 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HIF1A Q16665 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
SLC22A8 Q8TCC7 1/20 0.31
MME P08473 2/20 0.30
ACE P12821 1/20 0.30
CPA1 P15085 1/20 0.30

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
SCHEMBL327489 0.77 SLC22A6 (0.39) LMNATDP1SLC22A6
SCHEMBL15083296 0.77 SLC22A6 (0.39) LMNATDP1SLC22A6
SCHEMBL14533751 0.77 SLC22A6 (0.39) LMNATDP1SLC22A6
SCHEMBL11192904 0.74 ALDH1A1 (0.35) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL9081685 0.74 ALDH1A1 (0.47) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL2807626 0.74 PTGS1 (0.45) PTGS1GSTK1
SCHEMBL2807629 0.74 PTGS1 (0.45) PTGS1GSTK1
SCHEMBL11259298 0.69 ALDH1A1 (0.50) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL622444 0.69 ALDH1A1 (0.50) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL11196827 0.68 ALOX15 (0.31) ALDH1A1LMNATDP1KDM4E

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-5739121-A CYCLIC OLIGOSACCHARIDES HAVING MONOMERS IN PYRANOSIDE FORM, COMPRISING AT LEAST TWO FLUORINE ATOMS ATTACHED TO CYCLIC OLIGOSACCHARIDE OR SUBSTITUENT UNIVERSITY OF ALBERTA (CA) 1998-04-14 US disclosed