SCHEMBL1075110

SCHEMBL1075110

C=CCOC(=O)C1c2ccccc2N(C)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
CYP3A4 P08684 1/20 0.44
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
EGFR P00533 2/20 0.40
SRC P12931 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 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
SCHEMBL13005772 0.83 HDAC4 (0.57) HDAC4HDAC7HDAC5CYP3A4TSHR
SCHEMBL3856944 0.82 HDAC4 (0.55) HDAC4HDAC7HDAC5TSHREGFR
SCHEMBL10831199 0.80 CYP3A4 (0.50) HDAC4HDAC7HDAC5CYP3A4ALDH1A1
SCHEMBL2996947 0.79 HDAC4 (0.53) HDAC4HDAC7HDAC5CYP3A4TSHR
SCHEMBL15505387 0.79 HDAC4 (0.53) HDAC4HDAC7HDAC5CYP3A4ALDH1A1
SCHEMBL27850824 0.78 HDAC4 (0.51) HDAC4HDAC7HDAC5ALDH1A1TSHR
SCHEMBL2992029 0.78 HDAC4 (0.67) HDAC4HDAC7HDAC5TSHREGFR
SCHEMBL38661846 0.78 HDAC4 (0.67) HDAC4HDAC7HDAC5TSHREGFR
SCHEMBL10623267 0.78 CYP3A4 (0.39) CYP3A4ALDH1A1TSHRHSD17B10ATM
SCHEMBL14491000 0.77 HDAC4 (0.60) HDAC4HDAC7HDAC5ALDH1A1TSHR

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-8183060-B2 comprises biotin covalently attached to a polymer that has monosaccharide or amino acid as a constituent monomer covalently attached to a luminescent substance (cyanoisoindoles, luminols, and acridinium esters); detecting a target substance at high sensitivity DAIICHI PURE CHEMICALS CO., LTD. (JP) 2012-05-22 US disclosed
EP-1437594-B1 LUMINESCENT POLYMER AND USE THEREOF IN BIOASSAY SEKISUI MEDICAL CO LTD (JP) 2011-01-12 EP disclosed
US-20050019573-A1 comprises biotin covalently attached to a polymer that has monosaccharide or amino acid as a constituent monomer covalently attached to a luminescent substance (cyanoisoindoles, luminols, and acridinium esters); detecting a target substance at high sensitivity DAIICHI PURE CHEMICALS CO., LTD. (JP) 2005-01-27 US disclosed
EP-1437594-A1 LUMINESCENT POLYMER AND USE THEREOF IN BIOASSAY DAIICHI PURE CHEMICALS CO., LTD. (JP) 2004-07-14 EP disclosed