SCHEMBL14081920

SCHEMBL14081920

CC(C)(C)COC(=O)c1ccc[n+]([O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 2/20 0.49
ABL1 P00519 1/20 0.45
RIN1 Q13671 1/20 0.45
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
GPR84 Q9NQS5 3/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
GLA P06280 1/20 0.41
HTR1A P08908 1/20 0.40
CYP2D6 P10635 1/20 0.40
SCN1A P35498 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN2A Q99250 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL11553030 0.85 KMT2A (0.45) KMT2AMEN1L3MBTL1ALDH1A1ABL1
SCHEMBL11554607 0.85 KMT2A (0.45) KMT2AMEN1L3MBTL1ALDH1A1ABL1
SCHEMBL4862698 0.83 GLA (0.57) KMT2AMEN1L3MBTL1ALDH1A1ABL1
SCHEMBL14081917 0.81 L3MBTL1 (0.46) KMT2AL3MBTL1ALDH1A1MAPK1HIF1A
SCHEMBL14107746 0.80 LMNA (0.60) KMT2AMEN1L3MBTL1ALDH1A1ABL1
SCHEMBL14081941 0.80 MEN1 (0.56) KMT2AMEN1L3MBTL1ALDH1A1ABL1
SCHEMBL2818943 0.77 ABL1 (0.67) KMT2AMEN1L3MBTL1ALDH1A1ABL1
SCHEMBL444012 0.77 MAPK1 (0.71) KMT2AL3MBTL1ALDH1A1MAPK1HIF1A
SCHEMBL8728841 0.77 LMNA (0.53) KMT2AMEN1L3MBTL1ALDH1A1MAPK1
SCHEMBL8778114 0.76 MEN1 (0.51) KMT2AMEN1L3MBTL1ALDH1A1ABL1

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-7417156-B2 Orally active, antimalarial, anticancer, artemisinin-derived trioxane dimers JOHNS HOPKINS UNIVERSITY (US) 2008-08-26 US disclosed