SCHEMBL7109702

SCHEMBL7109702

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.66
PDPK1 O15530 2/20 0.55
MEN1 O00255 2/20 0.51
NPC1 O15118 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
ATM Q13315 1/20 0.51
NPSR1 Q6W5P4 2/20 0.49
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
TSHR P16473 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
CES1 P23141 1/20 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
SCHEMBL10448370 1.00 KMT2A (0.66) KMT2APDPK1MEN1NPC1L3MBTL1
SCHEMBL7111978 0.91 KMT2A (0.59) KMT2APDPK1MEN1NPC1L3MBTL1
SCHEMBL7108403 0.90 L3MBTL1 (0.68) KMT2AMEN1NPC1L3MBTL1NPSR1
SCHEMBL658330 0.90 PDPK1 (0.72) KMT2APDPK1MEN1NPC1L3MBTL1
SCHEMBL7109210 0.86 KMT2A (0.67) KMT2APDPK1MEN1NPC1L3MBTL1
SCHEMBL820802 0.86 KMT2A (0.64) KMT2APDPK1MEN1NPC1L3MBTL1
SCHEMBL13239389 0.85 KMT2A (0.53) KMT2APDPK1MEN1L3MBTL1TSHR
SCHEMBL3066438 0.83 KMT2A (0.60) KMT2APDPK1MEN1NPC1L3MBTL1
SCHEMBL3066439 0.83 KMT2A (0.60) KMT2APDPK1MEN1NPC1L3MBTL1
SCHEMBL16732180 0.81 KMT2A (0.56) KMT2AMEN1POLBTSHRPTGS1

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
EP-1352687-A1 Preparation of new layered double hydroxides exchanged with diisopropylamide for c-c bond forming reaction Council of Scientific and Industrial Research (IN) 2003-10-15 EP disclosed