SCHEMBL27675706

SCHEMBL27675706

CC(=O)OOCCCC1CCCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP2C19 P33261 1/20 0.45
LCK P06239 1/20 0.44
FAAH O00519 1/20 0.43
PDE4B Q07343 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
TYK2 P29597 2/20 0.42
JAK3 P52333 2/20 0.42
GRIN2B Q13224 3/20 0.41
HTT P42858 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
BCL9 O00512 1/20 0.41

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
SCHEMBL27675705 0.91 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19LCK
SCHEMBL5232407 0.84 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19LCK
SCHEMBL5237427 0.84 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19LCK
SCHEMBL1841979 0.84 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19LCK
SCHEMBL5237291 0.83 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19LCK
SCHEMBL1838982 0.83 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19LCK
SCHEMBL1841198 0.83 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19LCK
SCHEMBL1841160 0.83 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19LCK
SCHEMBL5233374 0.82 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9ACYP2C19LCK
SCHEMBL1842921 0.82 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19LCK

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
CN-1968954-A Thienopyridine Derivatives SANKYO CO (JP) 2007-05-23 CN disclosed