SCHEMBL6596397

SCHEMBL6596397

CCC(=O)C([C]=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 3/20 0.41
HSD11B1 P28845 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2D6 P10635 2/20 0.39
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
CYP2C19 P33261 1/20 0.39
SRC P12931 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38

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
SCHEMBL12368285 0.83 ALDH1A1 (0.49) CYP1A2ALDH1A1LMNAHSD11B1TDP1
SCHEMBL11341745 0.82 HDAC3 (0.44) LMNAHSD11B1TDP1L3MBTL1CYP2D6
SCHEMBL7334339 0.82 NPSR1 (0.47) CYP1A2ALDH1A1TDP1MEN1KMT2A
SCHEMBL28023085 0.81 CYP1A2 (0.42) CYP1A2ALDH1A1KMT2AMAPT
SCHEMBL462447 0.79 CYP1A2 (0.66) CYP1A2ALDH1A1LMNAHSD11B1TDP1
SCHEMBL4291663 0.79 AKR1B1 (0.52) LMNAMEN1KMT2AHDAC8HDAC6
SCHEMBL8071744 0.78 MMP8 (0.53) CYP1A2LMNATDP1L3MBTL1CYP2D6
Hydrochloric Acid SCHEMBL3647675 0.78 ALDH1A1 (0.64) CYP1A2ALDH1A1LMNAHSD11B1TDP1
SCHEMBL3237992 0.78 TDP1 (0.43) ALDH1A1LMNATDP1L3MBTL1CYP2D6
SCHEMBL7773819 0.77 SRC (0.52) CYP1A2LMNATDP1L3MBTL1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104745200-B Liquid-crystal compounds containing acetal ring and preparation method thereof 陕西师范大学 2016-10-26 CN claimed
CN-104745200-A Liquid crystal compound containing acetal ring and preparation method of liquid crystal compound UNIV SHAANXI NORMAL 2015-07-01 CN claimed
CN-104745200-B Liquid-crystal compounds containing acetal ring and preparation method thereof 陕西师范大学 2016-10-26 CN disclosed
CN-104745200-B Liquid-crystal compounds containing acetal ring and preparation method thereof 陕西师范大学 2016-10-26 CN disclosed
CN-104745200-A Liquid crystal compound containing acetal ring and preparation method of liquid crystal compound UNIV SHAANXI NORMAL 2015-07-01 CN disclosed
EP-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP disclosed
EP-0391399-B1 Electrophotographic photoreceptor FUJI PHOTO FILM CO LTD (JP) 1995-11-02 EP disclosed
US-5053302-A Photosensitivity, durability FUJI PHOTO FILM CO., LTD. (JP) 1991-10-01 US disclosed
US-5019474-A Containing tetrakisazo charge generating compound; high sensitivity, durability FUJI PHOTO FILM CO., LTD. (JP) 1991-05-28 US disclosed
EP-0391399-A1 Electrophotographic photoreceptor FUJI PHOTO FILM CO., LTD. (JP) 1990-10-10 EP disclosed