SCHEMBL28053643

SCHEMBL28053643

CC=C(C)C(=O)Oc1ccc(OCC2CO2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
MAPT P10636 5/20 0.50
TP53 P04637 3/20 0.50
TSHR P16473 3/20 0.50
LMNA P02545 3/20 0.50
HPGD P15428 2/20 0.50
PKM P14618 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HIF1A Q16665 2/20 0.50
CYP1A2 P05177 1/20 0.50
PPARG P37231 1/20 0.50
GAA P10253 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 6/20 0.44
CYP3A4 P08684 1/20 0.44
KDM4E B2RXH2 1/20 0.39
PARP1 P09874 1/20 0.39
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 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
SCHEMBL28106663 0.87 ALDH1A1 (0.61) ALDH1A1MAPTTP53TSHRLMNA
SCHEMBL24709164 0.84 ALDH1A1 (0.55) ALDH1A1MAPTTP53TSHRLMNA
SCHEMBL9628829 0.83 ALDH1A1 (0.57) ALDH1A1MAPTTP53TSHRLMNA
SCHEMBL28859441 0.83 KMT2A (0.37) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL28053736 0.81 ALDH1A1 (0.54) ALDH1A1TP53TSHRPKMMEN1
SCHEMBL4403982 0.81 ALDH1A1 (0.51) ALDH1A1MAPTTP53TSHRLMNA
SCHEMBL7603742 0.81 ALDH1A1 (0.51) ALDH1A1MAPTTP53TSHRLMNA
SCHEMBL7198330 0.80 ALDH1A1 (0.54) ALDH1A1MAPTTP53TSHRLMNA
SCHEMBL29325700 0.79 ALDH1A1 (0.53) ALDH1A1MAPTTP53TSHRLMNA
SCHEMBL18917618 0.79 ALDH1A1 (0.49) ALDH1A1MAPTTP53TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110317174-A Hydrogen barrier, hydrogen barrier film, which are formed, uses composition, hydrogen barrier film, the manufacturing method of hydrogen barrier film and electronic component 东京应化工业株式会社 2019-10-11 CN disclosed
CN-108375878-A The manufacturing method and cured film of polymerizable composition, polymerizable composition, cured film 东京应化工业株式会社 2018-08-07 CN disclosed
CN-107229185-A The manufacture method of energy sensitivities composition, solidfied material and solidfied material 东京应化工业株式会社 2017-10-03 CN disclosed
CN-107229184-A Coloring photosensitive combination, staining and curing thing therefrom, the manufacture method of display element and staining and curing thing 东京应化工业株式会社 2017-10-03 CN disclosed
CN-105278242-A Sensitive composition TOKYO OHKA KOGYO CO LTD 2016-01-27 CN disclosed