SCHEMBL3257600

SCHEMBL3257600

CCCCC(CCC)OC(=O)CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
PRKCA P17252 4/20 0.41
PRKCD Q05655 3/20 0.41
PRKCE Q02156 1/20 0.41
PRKCQ Q04759 1/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
FAAH O00519 1/20 0.38
HPGD P15428 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 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
SCHEMBL29379967 0.86 CTSK (0.49) CTSKMAPTMAPK1PRKCAPRKCD
SCHEMBL16010234 0.86 MAPT (0.53) CTSKMAPTMAPK1PRKCAPRKCD
SCHEMBL28184359 0.84 MAPT (0.52) CTSKMAPTMAPK1PRKCAPRKCD
SCHEMBL28183582 0.84 MAPT (0.56) CTSKMAPTMAPK1PRKCAPRKCD
SCHEMBL11586357 0.84 MAPK1 (0.61) MAPTMAPK1PRKCAPRKCDPRKCE
SCHEMBL14695275 0.82 MAPK1 (0.65) MAPTMAPK1PRKCAPRKCDPRKCE
SCHEMBL4865031 0.82 MAPT (0.50) CTSKMAPTMAPK1PRKCAPRKCD
SCHEMBL15722783 0.82 MAPK1 (0.65) MAPTMAPK1PRKCAPRKCDPRKCE
SCHEMBL2339946 0.81 CTSK (0.51) CTSKMAPTMAPK1PRKCAPRKCD
SCHEMBL6135594 0.81 CTSK (0.47) CTSKMAPTMAPK1PRKCAPRKCD

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-105979926-A Capryloyl alanine ethylester as penetration enhancer 巴斯夫欧洲公司 2016-09-28 CN disclosed
EP-1721943-B1 Ink composition, inkjet recording method, printed material, process for producing lithographic printing plate, and lithographic printing plate FUJIFILM CORP (JP) 2010-05-12 EP disclosed
US-7538149-B2 Ink composition, inkjet recording method, printed material, process for producing lithographic printing plate, and lithographic printing plate FUJIFILM CORPORATION (JP) 2009-05-26 US disclosed
US-20060258776-A1 Ink composition, inkjet recording method, printed material, process for producing lithographic printing plate, and lithographic printing plate FUJI PHOTO FILM CO., LTD. 2006-11-16 US disclosed
EP-1721943-A1 Ink composition, inkjet recording method, printed material, process for producing lithographic printing plate, and lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 2006-11-15 EP disclosed