SCHEMBL29955151

SCHEMBL29955151

CC(C)(C)OC(=O)n1cc(B(O)O)c2cnccc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
PIM1 P11309 1/20 0.41
MARK3 P27448 1/20 0.41
MAP4K2 Q12851 1/20 0.41
CAMK2B Q13554 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
HTR6 P50406 1/20 0.40
ELANE P08246 2/20 0.39
GPR119 Q8TDV5 9/20 0.38
ACHE P22303 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL29951804 0.90 L3MBTL1 (0.41) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL661642 0.90 L3MBTL1 (0.41) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL3222887 0.84 L3MBTL1 (0.45) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL29443994 0.83 MEN1 (0.41) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL15902516 0.83 MEN1 (0.41) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL31407376 0.83 PIM1 (0.42) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL1587770 0.83 PIM1 (0.42) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL1710746 0.83 PIM1 (0.42) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL29377863 0.81 L3MBTL1 (0.60) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL966206 0.81 L3MBTL1 (0.60) L3MBTL1PIM1MARK3MAP4K2CAMK2B

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed