SCHEMBL16256702

SCHEMBL16256702

COc1cc(CNCc2cc(OC)c(OC(C)=O)c(OC)c2)cc(OC)c1OC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
KDM4E B2RXH2 2/20 0.54
GAA P10253 1/20 0.50
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48
TUBB8 Q3ZCM7 1/20 0.48
TUBA3E Q6PEY2 1/20 0.48
TUBA1A Q71U36 1/20 0.48
TUBA1C Q9BQE3 1/20 0.48
TUBB6 Q9BUF5 1/20 0.48
TUBB2B Q9BVA1 1/20 0.48
TUBB1 Q9H4B7 1/20 0.48
ALOX5 P09917 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
SCHEMBL7659166 0.82 TUBB4A (0.50) MEN1KMT2AGAATUBB4ATUBB
SCHEMBL3391679 0.82 ALOX15 (0.53) MEN1KMT2AGAATUBB4ATUBB
SCHEMBL14606625 0.81 KMT2A (0.42) MEN1KMT2AKDM4ETUBB4ATUBB
SCHEMBL7651554 0.81 TUBB4A (0.49) MEN1KMT2AGAATUBB4ATUBB
SCHEMBL30251689 0.79 TUBB4A (0.48) MEN1KMT2AGAATUBB4ATUBB
SCHEMBL9542251 0.79 GAA (0.71) MEN1KMT2AKDM4EGAATUBB4A
Acetic Acid SCHEMBL6714814 0.78 MEN1 (0.66) MEN1KMT2AKDM4EGAATSHR
SCHEMBL2635399 0.77 KMT2A (0.50) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL15266000 0.76 ALOX5 (0.64) MEN1KMT2AKDM4EGAATUBB4A
SCHEMBL3326825 0.76 TUBB4A (0.63) MEN1KMT2AGAATUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895032-B2 Dendritic nano-antioxidants CENTRAL MICHIGAN UNIVERSITY (US) 2014-11-25 US disclosed