SCHEMBL3828375

SCHEMBL3828375

CC(C)(C)C[C@@H](N)COC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
LMNA P02545 4/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 3/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTR1A P08908 1/20 0.33
CYP2C19 P33261 1/20 0.33
CHRNA7 P36544 1/20 0.33

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
SCHEMBL3828368 1.00 ALOX15 (0.39) ALOX15LMNAHSD17B10CYP1A2SMN1; SMN2
SCHEMBL22980099 0.79 LMNA (0.44) ALOX15LMNAHSD17B10CYP1A2SMN1; SMN2
SCHEMBL16244419 0.79 ALOX15 (0.39) ALOX15LMNAHSD17B10CYP1A2SMN1; SMN2
SCHEMBL1487052 0.79 LMNA (0.44) ALOX15LMNAHSD17B10CYP1A2SMN1; SMN2
SCHEMBL1487054 0.79 LMNA (0.44) ALOX15LMNAHSD17B10CYP1A2SMN1; SMN2
SCHEMBL28085798 0.79 ALOX15 (0.35) ALOX15LMNAHSD17B10CYP1A2SMN1; SMN2
SCHEMBL29102680 0.78
SCHEMBL29102681 0.78
SCHEMBL3157434 0.76 ALOX15 (0.37) ALOX15LMNAHSD17B10CYP1A2SMN1; SMN2
SCHEMBL3161147 0.76 ALOX15 (0.37) ALOX15LMNAHSD17B10CYP1A2SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099756-A1 N-HYDROXYACRYLAMIDE COMPOUNDS Astellas Pharma Inc. (JP) 2009-09-16 EP disclosed
WO-2008075757-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2008-06-26 WO disclosed