SCHEMBL3477709

SCHEMBL3477709

CC(C)(C)OC(=O)N(CCOc1ccccc1)C1CO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 1/20 0.41
F2 P00734 2/20 0.40
PDK2 Q15119 1/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPARA Q07869 1/20 0.39
FDPS P14324 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LTA4H P09960 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL162237 0.82 L3MBTL1 (0.41) KMT2AL3MBTL1
SCHEMBL2968353 0.82 L3MBTL1 (0.41) KMT2AL3MBTL1
SCHEMBL997079 0.82 L3MBTL1 (0.41) KMT2AL3MBTL1
SCHEMBL1009027 0.77 PDK2 (0.58) KDM4EPOLBF2PDK2RAB9A
SCHEMBL2657776 0.75 KDM4E (0.41) KDM4EMEN1KMT2APPARAFDPS
SCHEMBL28638507 0.73 KDM1A (0.47) KDM4EPOLBMEN1KMT2A
SCHEMBL16491284 0.72 LSS (0.50) KDM4EPOLBPDK2RAB9AMEN1
SCHEMBL4512069 0.71 TSHR (0.41) KDM4EF2PDK2ALDH1A1
SCHEMBL19609158 0.71 MAPT (0.49) KDM4ERAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8771876 0.70 KDM4E (0.41) KDM4EPOLBF2PDK2MEN1

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
WO-2010107384-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-09-23 WO disclosed