SCHEMBL15550347

SCHEMBL15550347

CCN(CC)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.54
TDP1 Q9NUW8 1/20 0.54
LIPG Q9Y5X9 2/20 0.50
LPL P06858 1/20 0.50
LMNA P02545 3/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 5/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSP90AA1 P07900 5/20 0.42
HSP90AB1 P08238 5/20 0.42
P4HB P07237 1/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.40
BLM P54132 1/20 0.40
PPARG P37231 1/20 0.39
PDK2 Q15119 1/20 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
SCHEMBL15173051 0.88 MLYCD (0.46) HPGDTDP1LIPGLPLLMNA
SCHEMBL18274796 0.85 LPL (0.56) HPGDLIPGLPLTSHRALDH1A1
SCHEMBL1290866 0.84 P4HB (0.44) LIPGLPLP4HBPDK2
SCHEMBL12781285 0.82 LPL (0.49) HPGDLIPGLPLLMNAALDH1A1
SCHEMBL20288117 0.81 LIPG (0.50) LIPGLPLSMN1; SMN2P4HBMAPT
SCHEMBL16687454 0.81 LIPG (0.47) LIPGLPLP4HB
SCHEMBL15539288 0.81 MLYCD (0.40) HPGDTDP1LIPGLPLLMNA
SCHEMBL2741830 0.80 P4HB (0.43) LIPGLPLP4HB
SCHEMBL4782167 0.79 P4HB (0.47) TDP1LIPGLPLLMNAALDH1A1
SCHEMBL488896 0.79 P4HB (0.50) HPGDTDP1LIPGLPLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2858990-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AbbVie Inc. (US) 2015-04-15 EP disclosed
EP-2858982-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AbbVie Inc. (US) 2015-04-15 EP disclosed
WO-2013185284-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES ABBOTT LABORATORIES (US) 2013-12-19 WO disclosed
WO-2013188381-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES ABBVIE INC. (US) 2013-12-19 WO disclosed