SCHEMBL5326969

SCHEMBL5326969

CS(=O)(=O)OCC1CN(c2ccc(N3CCN(C(=O)OCc4ccccc4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.51
MAOA P21397 5/20 0.51
LMNA P02545 2/20 0.47
PTGS1 P23219 1/20 0.47
CALML3 P27482 1/20 0.47
SDHA P31040 1/20 0.47
F10 P00742 4/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GRM5 P41594 1/20 0.41
SLC6A9 P48067 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
SCHEMBL14566841 0.94 MAOB (0.46) MAOBMAOALMNAPTGS1CALML3
SCHEMBL12665686 0.90 MAOB (0.48) MAOBMAOALMNAPTGS1CALML3
SCHEMBL1498801 0.90 MAOB (0.48) MAOBMAOALMNAPTGS1CALML3
SCHEMBL12665684 0.88 MAOB (0.56) MAOBMAOALMNAPTGS1CALML3
SCHEMBL5327254 0.88 MAOB (0.53) MAOBMAOALMNAPTGS1CALML3
SCHEMBL1498683 0.88 MAOB (0.53) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7485004 0.87 MAOB (0.57) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7484998 0.87 MAOB (0.57) MAOBMAOALMNAPTGS1CALML3
SCHEMBL5417793 0.87 MAOB (0.53) MAOBMAOALMNAPTGS1CALML3
SCHEMBL1498789 0.87 MAOB (0.53) MAOBMAOALMNAPTGS1CALML3

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
WO-2007138381-A2 PHOSPHONATED OXAZOLIDINONES AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS INC. (CA) 2007-12-06 WO disclosed