SCHEMBL18595877

SCHEMBL18595877

CC(=O)NC[C@H](CN(C(=O)O)c1ccc(N2CCOCC2)c(F)c1)OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.46
LMNA P02545 2/20 0.46
MAOA P21397 2/20 0.46
PTGS1 P23219 1/20 0.46
CALML3 P27482 1/20 0.46
SDHA P31040 1/20 0.46
NPC1 O15118 4/20 0.41
HPGD P15428 4/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
LDHA P00338 1/20 0.37
LDHB P07195 1/20 0.37

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
SCHEMBL18595770 0.88 NPC1 (0.43) MAOBLMNAMAOAPTGS1CALML3
SCHEMBL18595769 0.87 LMNA (0.48) MAOBLMNAMAOAPTGS1CALML3
SCHEMBL483886 0.87 LMNA (0.48) MAOBLMNAMAOAPTGS1CALML3
SCHEMBL18595768 0.82 HPGD (0.41) MAOBLMNAMAOAPTGS1CALML3
SCHEMBL8425426 0.80 NPC1 (0.50) MAOBLMNAMAOAPTGS1CALML3
SCHEMBL19193668 0.78 MAOB (0.66) MAOBLMNAMAOAPTGS1CALML3
SCHEMBL483912 0.78 MAOB (0.45) MAOBLMNAMAOAPTGS1CALML3
SCHEMBL483665 0.78 LMNA (0.45) MAOBLMNAMAOAPTGS1CALML3
SCHEMBL15618875 0.76 NPC1 (0.47) MAOBLMNAMAOAPTGS1CALML3
SCHEMBL15618877 0.76 NPC1 (0.47) MAOBLMNAMAOAPTGS1CALML3

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-9586913-B2 Processes for the preparation of linezolid using novel intermediates SYMED LABS LIMITED (IN) 2017-03-07 US disclosed