SCHEMBL13316669

SCHEMBL13316669

CCOC[C@@H](COc1cccc(C)c1)NC(=O)NC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 1/20 0.42
POLB P06746 2/20 0.40
GAA P10253 2/20 0.40
MAPK1 P28482 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39

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
SCHEMBL13316685 0.81 SMN1; SMN2 (0.49) SMN1; SMN2TDP1L3MBTL1POLBMAPK1
SCHEMBL3585190 0.78 SMN1; SMN2 (0.52) SMN1; SMN2ADRB2ADRB1KMT2AMAPK1
SCHEMBL3580415 0.76 KMT2A (0.52) SMN1; SMN2ADRB2ADRB1KMT2AMAPK1
SCHEMBL3566335 0.74 SMN1; SMN2 (0.51) SMN1; SMN2ADRB2ADRB1L3MBTL1KMT2A
SCHEMBL3577900 0.72 RAB9A (0.47) SMN1; SMN2L3MBTL1KMT2AGAAMAPK1
SCHEMBL3575803 0.71 MEN1 (0.43) L3MBTL1KMT2AMAPK1HTT
SCHEMBL3577627 0.71 MEN1 (0.43) L3MBTL1KMT2AMAPK1HTT
SCHEMBL3574069 0.70 SMN1; SMN2 (0.53) SMN1; SMN2ADRB2ADRB1TDP1L3MBTL1
SCHEMBL7606595 0.68 KMT2A (0.70) L3MBTL1KMT2APOLBGAAMAPK1
SCHEMBL3573224 0.68 ADRB2 (0.47) SMN1; SMN2ADRB2ADRB1L3MBTL1KMT2A

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-7728005-B2 Ether derivative AJINOMOTO CO., INC. (JP) 2010-06-01 US disclosed