SCHEMBL5328968

SCHEMBL5328968

COc1cc(CNC(=O)CC(C)(C)CC(=O)O)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TSHR P16473 1/20 0.47
MAPK10 P53779 1/20 0.47
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL5322655 0.80 KMT2A (0.59) MEN1KMT2ATSHRMAPK10KDM4E
SCHEMBL5325737 0.79 NPC1 (0.59) MEN1KMT2ATSHRGAAALDH1A1
SCHEMBL7666895 0.79 KMT2A (0.60) MEN1KMT2ATSHRMAPK10GAA
SCHEMBL12404581 0.78 MEN1 (0.52) MEN1KMT2ATSHRMAPK10KDM4E
SCHEMBL18415450 0.77 MEN1 (0.58) MEN1KMT2ATSHRMAPK10KDM4E
SCHEMBL12672610 0.76 KMT2A (0.55) MEN1KMT2ATSHRMAPK10KDM4E
SCHEMBL5669243 0.76 TSHR (0.59) MEN1KMT2ATSHRMAPK10KDM4E
SCHEMBL31349283 0.76 MEN1 (0.56) MEN1KMT2ATSHRMAPK10KDM4E
SCHEMBL31433016 0.75 MEN1 (0.50) MEN1KMT2ATSHRMAPK10GAA
SCHEMBL5329567 0.75 KMT2A (0.50) MEN1KMT2ATSHRMAPK10KDM4E

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
WO-2007142431-A1 NEW NON-PEPTIDE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUNDATION (KR) 2007-12-13 WO disclosed