SCHEMBL7720283

SCHEMBL7720283

CC(CC(=O)c1ccccc1)OC(=O)OC(C)CC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
TSHR P16473 1/20 0.53
MEN1 O00255 3/20 0.53
NPC1 O15118 2/20 0.53
L3MBTL1 Q9Y468 4/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 3/20 0.51
HPGD P15428 2/20 0.51
POLB P06746 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HTT P42858 1/20 0.50
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
CES1 P23141 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ATM Q13315 1/20 0.45

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
SCHEMBL28686010 0.91 L3MBTL1 (0.50) KMT2ATSHRMEN1NPC1L3MBTL1
SCHEMBL7720285 0.89 KMT2A (0.54) KMT2ATSHRMEN1NPC1L3MBTL1
SCHEMBL3789827 0.86 L3MBTL1 (0.47) KMT2ATSHRMEN1NPC1L3MBTL1
SCHEMBL28462932 0.86 KMT2A (0.51) KMT2ATSHRMEN1NPC1L3MBTL1
SCHEMBL10884799 0.83 KMT2A (0.61) KMT2ATSHRMEN1NPC1L3MBTL1
SCHEMBL3768811 0.79 KMT2A (0.51) KMT2ATSHRMEN1NPC1L3MBTL1
SCHEMBL3768812 0.79 KMT2A (0.51) KMT2ATSHRMEN1NPC1L3MBTL1
SCHEMBL9799560 0.78 TSHR (0.63) KMT2ATSHRMEN1NPC1L3MBTL1
SCHEMBL2026026 0.78 TSHR (0.63) KMT2ATSHRMEN1NPC1L3MBTL1
SCHEMBL7720410 0.77 TSHR (0.49) KMT2ATSHRMEN1NPC1L3MBTL1

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-6392089-B1 DEBLOCKING USING RADIATION UNIVERSITY OF MARYLAND 2002-05-21 US disclosed