SCHEMBL7107026

SCHEMBL7107026

CCOC(=O)C(C(C)=O)C(CC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
NPC1 O15118 1/20 0.61
PDPK1 O15530 2/20 0.50
MMP8 P22894 1/20 0.44
NPSR1 Q6W5P4 3/20 0.44
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
ATM Q13315 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7109210 0.93 KMT2A (0.67) KMT2AMEN1NPC1PDPK1MMP8
SCHEMBL9182169 0.86 ALDH1A1 (0.53) KMT2AMEN1NPC1PDPK1NPSR1
SCHEMBL656693 0.83 KMT2A (0.55) KMT2AMEN1NPC1PDPK1MMP8
SCHEMBL658879 0.83 KMT2A (0.55) KMT2AMEN1NPC1PDPK1MMP8
SCHEMBL657882 0.83 NPC1 (0.55) KMT2AMEN1NPC1PDPK1MMP8
SCHEMBL658086 0.82 NPC1 (0.54) KMT2AMEN1NPC1PDPK1MMP8
SCHEMBL14137514 0.82 MEN1 (0.51) KMT2AMEN1NPC1PDPK1MMP8
SCHEMBL657479 0.81 PDPK1 (0.56) KMT2AMEN1NPC1PDPK1MMP8
SCHEMBL820208 0.81 KMT2A (0.63) KMT2AMEN1NPC1PDPK1MMP8
SCHEMBL820803 0.81 KMT2A (0.63) KMT2AMEN1NPC1PDPK1MMP8

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