SCHEMBL9685967

SCHEMBL9685967

CC(=O)Oc1cccc2c(OC(C)=O)c(C)c(C)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.60
KDM4E B2RXH2 4/20 0.53
HSD17B10 Q99714 3/20 0.53
GAA P10253 2/20 0.53
MAPT P10636 2/20 0.53
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.47
ACHE P22303 2/20 0.46
PTPN1 P18031 2/20 0.46
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
BLM P54132 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
KMT2A Q03164 2/20 0.44
APEX1 P27695 1/20 0.44
RECQL P46063 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 2/20 0.44
TOP1 P11387 2/20 0.41
ESR1 P03372 2/20 0.40

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
SCHEMBL9685110 0.81 HTT (0.69) HTTKDM4EHSD17B10GAAMAPT
SCHEMBL13666895 0.77 KDM4E (0.62) HTTKDM4EHSD17B10GAAMAPT
SCHEMBL6688920 0.77 HTT (0.56) HTTKDM4EHSD17B10GAAMAPT
SCHEMBL8837593 0.77 GAA (0.57) HTTKDM4EHSD17B10GAAMAPT
SCHEMBL30434021 0.76 HTT (0.67) HTTKDM4EHSD17B10GAAMAPT
SCHEMBL20398637 0.76 HTT (0.67) HTTKDM4EHSD17B10GAAMAPT
SCHEMBL12748859 0.76 HTT (0.57) HTTKDM4EHSD17B10GAAMAPT
Acetomenaphthone SCHEMBL29411342 0.76 HTT (1.00) HTTKDM4EHSD17B10GAAMAPT
Acetomenaphthone SCHEMBL209382 0.76 HTT (1.00) HTTKDM4EHSD17B10GAAMAPT
SCHEMBL4185213 0.75 ACHE (0.57) HTTKDM4EHSD17B10GAAMAPT

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
US-5122442-A Water soluble binder; photosensitive compound HOECHST CELANESE CORPORATION (US) 1992-06-16 US disclosed
US-4436804-A Light-sensitive polymeric diazonium condensates and reproduction compositions and materials therewith AMERICAN HOECHST CORPORATION (US) 1984-03-13 US disclosed