SCHEMBL5514754

SCHEMBL5514754

Cc1c(O)cccc1NCCC(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
TP53 P04637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GAA P10253 2/20 0.44
MAPK1 P28482 1/20 0.44
TRPA1 O75762 2/20 0.39
ATM Q13315 1/20 0.39
HTT P42858 3/20 0.37
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
LMNA P02545 2/20 0.33
IDO1 P14902 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL29442601 0.80 MAPT (0.47) MAPTTP53HSD17B10GAAMAPK1
SCHEMBL453906 0.80 MAPT (0.47) MAPTTP53HSD17B10GAAMAPK1
SCHEMBL5809523 0.77 MAPT (0.47) MAPTTP53HSD17B10GAAMAPK1
SCHEMBL3151717 0.77 MAPT (0.67) MAPTGAAHTTALDH1A1KMT2A
SCHEMBL3879536 0.76 BRD4 (0.46) MAPTTP53HSD17B10GAAMAPK1
SCHEMBL3194480 0.76 MAPT (0.50) MAPTTP53HSD17B10GAAMAPK1
SCHEMBL7157690 0.75 TP53 (0.38) MAPTTP53HSD17B10GAAMAPK1
SCHEMBL456864 0.75 MAPT (0.43) MAPTTP53HSD17B10GAAMAPK1
SCHEMBL3879346 0.75 MAPK1 (0.46) MAPTTP53HSD17B10GAAMAPK1
SCHEMBL22580936 0.71 TYR (0.37) MAPTTP53HSD17B10GAAMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846108-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4,7-DIAMINES, AND USE THEREOF The Procter & Gamble Company (US) 2007-10-24 EP disclosed
WO-2006078800-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4-, 7-DIAMINES, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-07-27 WO disclosed