SCHEMBL5310467

SCHEMBL5310467

CC(NC(=O)O)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
RECQL P46063 1/20 0.42
PLEC Q15149 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 4/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PDK1 Q15118 2/20 0.32
PDK2 Q15119 2/20 0.32
PDK3 Q15120 2/20 0.32

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
SCHEMBL23571 0.78 PDK1 (0.32) GAAMAPTKDM4ETP53THRB
SCHEMBL30130704 0.77
SCHEMBL27792428 0.76 GAA (0.41) GAAMAPTKDM4ETP53THRB
SCHEMBL6729057 0.71 THRB (0.32) THRB
SCHEMBL28707490 0.69 TSHR (0.39) ALDH1A1TSHR
SCHEMBL9253 0.69
SCHEMBL971096 0.69
Hydrochloric Acid SCHEMBL9158754 0.67
SCHEMBL9065833 0.67
Ammonia Solution, Strong SCHEMBL1793738 0.67 EPHX1 (0.40) GAAMAPTKDM4ELMNASMN1; SMN2

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
WO-2007047579-A2 A NOVEL THERAPEUTIC TARGET FOR PROTOZOAL DISEASES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2007-04-26 WO claimed