SCHEMBL1318320

SCHEMBL1318320

COc1c(O)c(O)c2oc(-c3cccc(O)c3O)c(OC)c(=O)c2c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
GAA P10253 4/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
KIT P10721 1/20 0.46
TUBB4A P04350 2/20 0.46
TUBB P07437 2/20 0.46
TUBA3C P0DPH7 2/20 0.46
TUBA1B P68363 2/20 0.46
TUBA4A P68366 2/20 0.46
TUBB4B P68371 2/20 0.46
TUBB3 Q13509 2/20 0.46
TUBB2A Q13885 2/20 0.46
TUBB8 Q3ZCM7 2/20 0.46
TUBA3E Q6PEY2 2/20 0.46
TUBA1A Q71U36 2/20 0.46
TUBA1C Q9BQE3 2/20 0.46
TUBB6 Q9BUF5 2/20 0.46
TUBB2B Q9BVA1 2/20 0.46
TUBB1 Q9H4B7 2/20 0.46

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
SCHEMBL28065961 0.91 KDM4E (0.50) KDM4EGAAMAPTALDH1A1KIT
SCHEMBL30998897 0.82 ABCB1 (0.52) KDM4EGAAMAPTALDH1A1TUBB4A
SCHEMBL29138747 0.80 KDM4E (0.53) KDM4EGAAMAPTALDH1A1TUBB4A
SCHEMBL30049200 0.80 ABCG2 (0.56) KDM4EGAAMAPTALDH1A1TUBB4A
SCHEMBL27973635 0.77 KDM4E (0.60) KDM4EGAAMAPTALDH1A1KIT
SCHEMBL29712284 0.77 KDM4E (0.60) KDM4EGAAMAPTALDH1A1KIT
SCHEMBL15328942 0.76 KDM4E (0.59) KDM4EGAAMAPTALDH1A1KIT
SCHEMBL29723654 0.76 KDM4E (0.59) KDM4EGAAMAPTALDH1A1TUBB4A
SCHEMBL28646631 0.76 MAPT (0.63) KDM4EGAAMAPTALDH1A1TUBB4A
SCHEMBL27851544 0.75 MAPT (0.54) KDM4EGAAMAPTALDH1A1TUBB4A

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
EP-2660848-A1 Three-dimensional molecular imaging by infrared laser ablation electrospray ionization mass spectrometry The George Washington University (US) 2013-11-06 EP disclosed
EP-2356668-B1 THREE-DIMENSIONAL MOLECULAR IMAGING BY INFRARED LASER ABLATION ELECTROSPRAY IONIZATION MASS SPECTROMETRY UNIV GEORGE WASHINGTON (US) 2013-07-17 EP disclosed
US-8487246-B2 Three-dimensional molecular imaging by infrared laser ablation electrospray ionization mass spectrometry THE GEORGE WASHINGTON UNIVERSITY (US) 2013-07-16 US disclosed
US-20120298857-A1 Three-Dimensional Molecular Imaging By Infrared Laser Ablation Electrospray Ionization Mass Spectrometry THE GEORGE WASHINGTON UNIVERSITY 2012-11-29 US disclosed
US-8299429-B2 Three-dimensional molecular imaging by infrared laser ablation electrospray ionization mass spectrometry THE GEORGE WASHINGTON UNIVERSITY (US) 2012-10-30 US disclosed
US-20110272572-A1 Three-Dimensional Molecular Imaging By Infrared Laser Ablation Electrospray Ionization Mass Spectrometry ENERGY, UNITED STATES DEPARTMENT OF 2011-11-10 US disclosed
EP-2356668-A2 THREE-DIMENSIONAL MOLECULAR IMAGING BY INFRARED LASER ABLATION ELECTROSPRAY IONIZATION MASS SPECTROMETRY The George Washington University (US) 2011-08-17 EP disclosed
US-7964843-B2 Three-dimensional molecular imaging by infrared laser ablation electrospray ionization mass spectrometry THE GEORGE WASHINGTON UNIVERSITY (US) 2011-06-21 US disclosed
WO-2010068491-A2 THREE-DIMENSIONAL MOLECULAR IMAGING BY INFRARED LASER ABLATION ELECTROSPRAY IONIZATION MASS SPECTROMETRY THE GEORGE WASHINGTON UNIVERSITY (US) 2010-06-17 WO disclosed
US-20100012831-A1 Three-Dimensional Molecular Imaging By Infrared Laser Ablation Electrospray Ionization Mass Spectrometry ENERGY, UNITED STATES DEPARTMENT OF 2010-01-21 US disclosed