SCHEMBL8379602

SCHEMBL8379602

CCOC(=O)COc1ccc(C(=O)CC(C(=O)O)C(=O)c2ccc(C=NNC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
KDM4E B2RXH2 3/20 0.46
MIF P14174 2/20 0.46
KMT2A Q03164 7/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
MEN1 O00255 3/20 0.45
RECQL P46063 1/20 0.45
ALDH1A1 P00352 4/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.42
PTPN12 Q05209 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 2/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL8379854 0.92 SMN1; SMN2 (0.53) MAPTNPC1RAB9AMIFKMT2A
SCHEMBL8379597 0.84 GAA (0.38) MAPTKDM4ERECQLALDH1A1HTT
SCHEMBL8379608 0.84 GAA (0.38) MAPTKDM4ERECQLALDH1A1HTT
SCHEMBL8382792 0.82 MAPT (0.55) MAPTNPC1RAB9AKDM4EMIF
SCHEMBL8650067 0.81 MAPT (0.50) MAPTNPC1RAB9AKDM4EMIF
Formic Acid SCHEMBL8381303 0.80 GAA (0.42) MAPTKDM4ESMN1; SMN2RECQLALDH1A1
SCHEMBL8379116 0.78 MAPT (0.63) MAPTNPC1RAB9AKDM4EMIF
SCHEMBL8381490 0.78 MAPT (0.48) MAPTNPC1RAB9AKDM4EMIF
SCHEMBL8379851 0.77 GAA (0.42) MAPTKDM4ERECQLALDH1A1HTT
SCHEMBL8382726 0.75 GAA (0.44) MAPTKDM4ERECQLALDH1A1HTT

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-5973188-A Acetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1999-10-26 US disclosed