SCHEMBL16124202

SCHEMBL16124202

CC(C)C(=O)OC(C)(C)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 2/20 0.42
ACP3 P15309 1/20 0.39
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
KCNJ11 Q14654 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
KIF11 P52732 1/20 0.37
HPGD P15428 1/20 0.37
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PPARD Q03181 1/20 0.37
PGR P06401 1/20 0.36
GAA P10253 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL13346764 0.85 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10ACP3ADRB2
SCHEMBL16124322 0.85 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10ACP3KCNJ11
SCHEMBL11570039 0.81 KDM4E (0.44) ALDH1A1KDM4EHSD17B10ACP3KIF11
SCHEMBL16817778 0.77 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10ACP3KCNJ11
SCHEMBL7806844 0.76 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10ACP3ADRB2
SCHEMBL13346770 0.76 PPARG (0.40) ALDH1A1KDM4EHSD17B10ACP3TDP1
SCHEMBL3127743 0.76 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10ACP3L3MBTL1
SCHEMBL26208770 0.75 KDM4E (0.38) ALDH1A1KDM4EHSD17B10ACP3KCNJ11
SCHEMBL9015724 0.74 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10ACP3TDP1
SCHEMBL827153 0.73 ALDH1A1 (0.50) ALDH1A1L3MBTL1KIF11CYP2C19MAPK1

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-20140287363-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, AND, RESIST FILM, PATTERN FORMING METHOD, ELECTRONIC DEVICE MANUFACTURING METHOD, AND ELECTRONIC DEVICE, EACH USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2014-09-25 US disclosed