SCHEMBL4742342

SCHEMBL4742342

CC(C)CCOC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.63
LMNA P02545 3/20 0.63
TP53 P04637 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
GAA P10253 4/20 0.53
HPGD P15428 4/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
GLA P06280 1/20 0.53
KMT2A Q03164 1/20 0.53
ATM Q13315 1/20 0.53
FLT3 P36888 2/20 0.51
HSD17B10 Q99714 2/20 0.50
DAO P14920 1/20 0.50

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
SCHEMBL30269796 1.00 KDM4E (0.63) KDM4ELMNATP53L3MBTL1TAS1R3
SCHEMBL28281972 0.86 KDM4E (0.67) KDM4ELMNATP53L3MBTL1TAS1R3
SCHEMBL7169528 0.84 KDM4E (0.61) KDM4ELMNATP53L3MBTL1GAA
SCHEMBL24196940 0.83 KDM4E (0.54) KDM4ELMNAL3MBTL1HPGDALDH1A1
SCHEMBL5289613 0.82 DRD2 (0.59) KDM4ELMNATP53L3MBTL1GAA
SCHEMBL27408412 0.81 KDM4E (0.56) KDM4ELMNATP53L3MBTL1GAA
SCHEMBL29580772 0.81 KDM4E (0.78) KDM4ELMNATP53L3MBTL1GAA
SCHEMBL42002 0.81 KDM4E (0.78) KDM4ELMNATP53L3MBTL1GAA
SCHEMBL24960989 0.81 KDM4E (0.56) KDM4ELMNATP53L3MBTL1TAS1R3
SCHEMBL6533183 0.81 DRD2 (0.58) KDM4ELMNATP53L3MBTL1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963292-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-09-03 EP disclosed
WO-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 WO disclosed