SCHEMBL7212505

SCHEMBL7212505

NC(=O)OCC(F)(CO)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 3/20 0.39
KMT2A Q03164 1/20 0.39
KCNN4 O15554 7/20 0.39
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
HTT P42858 1/20 0.37
PTPN1 P18031 1/20 0.36
KIF11 P52732 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 2/20 0.35
S1PR4 O95977 1/20 0.35

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
SCHEMBL7216196 0.93 NPSR1 (0.44) NPSR1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL7217207 0.85 KCNN4 (0.46) SMN1; SMN2KMT2AKCNN4KIF11ALDH1A1
SCHEMBL7217326 0.77 KCNN4 (0.48) SMN1; SMN2KMT2AKCNN4KIF11ALDH1A1
SCHEMBL4590400 0.75 MAPT (0.50) NPSR1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL5012067 0.74 TSHR (0.52) NPSR1CYP1A2LMNAMAPTKMT2A
Hydroxyphenamate SCHEMBL546919 0.71 KMT2A (0.42) NPSR1CYP1A2CYP2D6PKMSMN1; SMN2
Hydroxyphenamate SCHEMBL5704281 0.71 KMT2A (0.42) NPSR1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL6497924 0.69 MAPT (0.42) NPSR1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL13275212 0.69 LMNA (0.42) SMN1; SMN2LMNAMAPK1HIF1AHTT
Urethane SCHEMBL3680047 0.68 ALOX15 (0.56) NPSR1CYP1A2CYP2D6PKMSMN1; 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
EP-1156798-B1 FELBAMATE DERIVED COMPOUNDS UNIV VIRGINIA (US) 2003-07-09 EP claimed