SCHEMBL5224665

SCHEMBL5224665

C/C=C\c1cc(C(=O)OC)c(F)c(N2CCCS2(=O)=O)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 2/20 0.37
TP53 P04637 7/20 0.34
PTGS2 P35354 1/20 0.34
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL5224667 1.00 PIK3C3 (0.37) PIK3C3TP53PTGS2CTSDBACE1
SCHEMBL5219084 0.97 CTSD (0.36) PIK3C3TP53PTGS2CTSDBACE1
SCHEMBL5224671 0.89 PTGS2 (0.34) PTGS2SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL5224678 0.89 PTGS2 (0.34) PTGS2SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL5219078 0.85 PTGS2 (0.33) PTGS2SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL5219089 0.85 PTGS2 (0.33) PTGS2SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL5219097 0.85 PTGS2 (0.33) PTGS2SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL5223775 0.82 KDM4E (0.39) PIK3C3TP53CTSDBACE1BACE2
SCHEMBL5226784 0.82 PIK3C3 (0.39) PIK3C3TP53CTSDBACE1BACE2
SCHEMBL5217755 0.79 CTSD (0.37) PIK3C3CTSDBACE1BACE2SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed