SCHEMBL2267172

SCHEMBL2267172

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 10/20 0.46
LPL P06858 9/20 0.46
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.41
P4HB P07237 1/20 0.38
HTT P42858 1/20 0.37
F2 P00734 1/20 0.37
F11 P03951 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
ROCK1 Q13464 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 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
SCHEMBL2223530 0.86 LIPG (0.40) LIPGLPLALDH1A1P4HBHTT
SCHEMBL13274950 0.85 LIPG (0.40) LIPGLPLALDH1A1P4HBF2
SCHEMBL14672713 0.83 LIPG (0.51) LIPGLPLALDH1A1GLATSHR
SCHEMBL4221810 0.82 LIPG (0.43) LIPGLPLP4HBF2F11
SCHEMBL1316218 0.80 LIPG (0.52) LIPGLPLALDH1A1F11ROCK1
SCHEMBL19463268 0.80 LIPG (0.52) LIPGLPLF11ROCK1
SCHEMBL4753530 0.78 LIPG (0.40) LIPGLPLP4HBF2F11
SCHEMBL13274599 0.78 LIPG (0.35) LIPGLPLP4HBF2F11
SCHEMBL2262334 0.78 CASR (0.44) ALDH1A1TSHRMEN1KMT2A
SCHEMBL23781315 0.78 LIPG (0.50) LIPGLPLALDH1A1P4HBROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO disclosed
EP-1833836-A1 IMIDAZO-FUSED THIAZOLO [4,5-B] PYRIDINE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME Brystol-Myers Squibb Company (US) 2007-09-19 EP disclosed
WO-2006053120-A1 IMIDAZO-FUSED THIAZOLO[4,5-b]PYRIDINE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-18 WO disclosed