SCHEMBL13829464

SCHEMBL13829464

CCOc1cc(COC)cc(OCC)c1[N+]#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 3/20 0.35
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 2/20 0.32
MAPT P10636 4/20 0.32
KDM4E B2RXH2 3/20 0.32
GAA P10253 2/20 0.32
POLB P06746 2/20 0.31
HSD17B10 Q99714 2/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
NPC1 O15118 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL17690433 0.79 CA12 (0.37) CALM1ALDH1A1MAPK1MAPTKDM4E
SCHEMBL2705845 0.77 S1PR1 (0.37) CALM1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL4074936 0.77 MAPT (0.37) ALDH1A1MAPK1MAPTKDM4EGAA
SCHEMBL92011 0.77 NQO1 (0.41) ALDH1A1MAPK1MAPTKDM4EGAA
SCHEMBL14178558 0.75 KDM4E (0.39) CALM1HTR2AHTR2CHTR2BMAPK1
SCHEMBL14017354 0.72 MEN1 (0.35) CALM1ALDH1A1MAPK1MAPTKDM4E
SCHEMBL24010947 0.72 CALM1 (0.51) CALM1ALDH1A1MAPK1MAPTKDM4E
SCHEMBL25460918 0.72 HTR2A (0.62) CALM1HTR2AHTR2CHTR2BPOLB
SCHEMBL13890811 0.69 RXFP1 (0.36) ALDH1A1MAPK1MAPTKDM4EPOLB
SCHEMBL14288611 0.69 CALM1 (0.61) CALM1ALDH1A1MAPK1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426102-B2 Lithographic printing plate precursor and plate making method FUJIFILM CORPORATION (JP) 2013-04-23 US disclosed
US-8309294-B2 2012-11-13 US disclosed
US-20080318155-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PLATE MAKING METHOD FUJIFILM CORPORATION (JP) 2008-12-25 US disclosed
US-7338746-B2 Actinic radiation absorber, polymerization initiator and a polymerzation monomer to form polymer layer that will carry ink that can be removed and forming images with exposure to laser beams FUJIFILM CORPORATION (JP) 2008-03-04 US disclosed