SCHEMBL5329567

SCHEMBL5329567

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
TSHR P16473 1/20 0.47
MAPK10 P53779 1/20 0.47
TACR1 P25103 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
LDHA P00338 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 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) KMT2AMEN1TSHRMAPK10KDM4E
SCHEMBL5330912 0.79 PLA2G1B (0.61) TSHRTACR1ALDH1A1POLB
SCHEMBL7666895 0.79 KMT2A (0.60) KMT2AMEN1TSHRMAPK10KDM4E
SCHEMBL14521458 0.78 KMT2A (0.52) KMT2AMEN1TSHRMAPK10KDM4E
SCHEMBL18415450 0.77 MEN1 (0.58) KMT2AMEN1TSHRMAPK10KDM4E
SCHEMBL12672610 0.76 KMT2A (0.55) KMT2AMEN1TSHRMAPK10KDM4E
SCHEMBL31349283 0.76 MEN1 (0.56) KMT2AMEN1TSHRMAPK10KDM4E
SCHEMBL5669243 0.76 TSHR (0.59) KMT2AMEN1TSHRMAPK10KDM4E
SCHEMBL15338710 0.75 KMT2A (0.50) KMT2AMEN1TSHRMAPK10KDM4E
SCHEMBL5328968 0.75 MEN1 (0.50) KMT2AMEN1TSHRMAPK10KDM4E

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