SCHEMBL7111978

SCHEMBL7111978

COC(=O)C(C(=O)OC)C(CC(=O)c1ccccc1)c1ccc(C)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
L3MBTL1 Q9Y468 4/20 0.54
NPC1 O15118 5/20 0.53
RAB9A P51151 4/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 4/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 2/20 0.51
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
PDPK1 O15530 2/20 0.47
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 2/20 0.45
NPSR1 Q6W5P4 1/20 0.44
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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 0.91 KMT2A (0.66) KMT2AL3MBTL1NPC1RAB9AMEN1
SCHEMBL7109702 0.91 KMT2A (0.66) KMT2AL3MBTL1NPC1RAB9AMEN1
SCHEMBL7108403 0.87 L3MBTL1 (0.68) KMT2AL3MBTL1NPC1RAB9AMEN1
SCHEMBL658330 0.82 PDPK1 (0.72) KMT2AL3MBTL1NPC1MEN1PDPK1
SCHEMBL7109210 0.81 KMT2A (0.67) KMT2AL3MBTL1NPC1MEN1ALDH1A1
SCHEMBL29041217 0.81 KMT2A (0.84) KMT2AL3MBTL1NPC1RAB9AMEN1
SCHEMBL10252711 0.79 PDPK1 (0.72) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL820802 0.78 KMT2A (0.64) KMT2AL3MBTL1NPC1MEN1ALDH1A1
SCHEMBL13239389 0.77 KMT2A (0.53) KMT2AL3MBTL1MEN1ALDH1A1PDPK1
SCHEMBL17767262 0.77 NPC1 (0.54) KMT2AL3MBTL1NPC1RAB9AMEN1

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