SCHEMBL13637833

SCHEMBL13637833

CC(=O)NCC1OC(C)O1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.37
FUCA1 P04066 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
MTNR1A P48039 3/20 0.34
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MTNR1B P49286 2/20 0.30
LMNA P02545 1/20 0.30
PAOX Q6QHF9 2/20 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
SCHEMBL12019192 0.74 FUCA1 (0.40) GLAFUCA1KDM4EMAPK1HIF1A
SCHEMBL14192097 0.71 SMN1; SMN2 (0.38) GLAFUCA1KDM4EMAPK1HIF1A
SCHEMBL835215 0.69
SCHEMBL17174983 0.68 FUCA1 (0.38) GLAFUCA1KDM4EMAPK1HIF1A
SCHEMBL12899990 0.67 FUCA1 (0.51) GLAFUCA1
SCHEMBL9914008 0.66 FUCA1 (0.54) GLAFUCA1
SCHEMBL14025399 0.66 FUCA1 (0.54) GLAFUCA1
SCHEMBL2863034 0.65
SCHEMBL4663635 0.65
SCHEMBL9911085 0.65 LMNA (0.50) LMNA

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-7622487-B2 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed