SCHEMBL453640

SCHEMBL453640

O=CN(CCC(=O)O)c1ccc(C(=O)OC(=O)c2ccc(N(C=O)CCC(=O)O)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DHFR P00374 1/20 0.32
HDAC2 Q92769 4/20 0.32
HDAC8 Q9BY41 4/20 0.32
HDAC6 Q9UBN7 3/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC3 O15379 1/20 0.32

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
SCHEMBL4536316 0.85 TSHR (0.41) POLBHTTALDH1A1SMN1; SMN2NPC1
SCHEMBL4473097 0.76 HDAC2 (0.34) ALDH1A1SMN1; SMN2MAPTTSHRHDAC2
SCHEMBL31237353 0.72 CA1 (0.45) POLBHTTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL28590360 0.70 HDAC2 (0.44) ALDH1A1SMN1; SMN2MAPTTSHRMAPK1
SCHEMBL12294095 0.69 ALDH1A1 (0.41) POLBHTTALDH1A1SMN1; SMN2HPGD
SCHEMBL29733611 0.69 ALDH1A1 (0.38) POLBHTTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL11672937 0.69 LMNA (0.46) L3MBTL1ALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL28854789 0.68 CASP3 (0.44) L3MBTL1ALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL11860304 0.67 FFAR1 (0.59) L3MBTL1HSD17B10
SCHEMBL8208070 0.67 TP53 (0.42) POLBHTTALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3242690-B1 NEAR-INFRARED FLUORESCENT SURGICAL DYE MARKERS DE HAAS ANTHONY H (US) 2020-09-16 EP disclosed
US-10383957-B2 Near-infrared fluorescent surgical dye markers de Haas, Anthony H. (US) 2019-08-20 US disclosed
EP-3228348-B1 MEDICAL DEVICE IMAGABLE BY ULTRASOUND COVIDIEN LP (US) 2019-06-05 EP disclosed
EP-3242690-A1 NEAR-INFRARED FLUORESCENT SURGICAL DYE MARKERS De Haas, Anthony H. (US) 2017-11-15 EP disclosed
US-20170290561-A1 MEDICAL DEVICE IMAGABLE BY ULTRASOUND COVIDIEN LP 2017-10-12 US disclosed
EP-3228348-A1 MEDICAL DEVICE IMAGABLE BY ULTRASOUND Covidien LP (US) 2017-10-11 EP disclosed
WO-2016111915-A1 NEAR-INFRARED FLUORESCENT SURGICAL DYE MARKERS DE HAAS ANTHONY H (US) 2016-07-14 WO disclosed
US-20160193365-A1 Near-Infrared Fluorescent Surgical Dye Markers JOVIAT, LLC 2016-07-07 US disclosed
US-20130017154-A1 Uniform Fluorescent Microsphere with Hydrophobic Surfaces Life Technologies Corporation (US) 2013-01-17 US disclosed
US-20120276015-A1 Optical in vivo Imaging Contrast Agents and Methods of Use Life Technologies Corporation (US) 2012-11-01 US disclosed
US-20120064012-A1 Uniform Fluorescent Microspheres with Hydrophobic Surfaces Life Technologies Corporation (US) 2012-03-15 US disclosed
US-20080019921-A1 UNIFORM FLUORESCENT MICROSPHERE WITH HYDROPHOBIC SURFACES INVITROGEN CORPORATION (US) 2008-01-24 US disclosed
WO-2007067978-A1 OPTICAL IN VIVO IMAGING CONTRAST AGENTS AND METHODS OF USE INVITROGEN CORPORATION (US) 2007-06-14 WO disclosed