SCHEMBL59027

SCHEMBL59027

Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1N(C(=O)O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 3/20 0.39
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
LIPG Q9Y5X9 5/20 0.38
LPL P06858 4/20 0.38
P4HB P07237 1/20 0.37
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
HIF1A Q16665 2/20 0.36
AAK1 Q2M2I8 1/20 0.36
DGAT1 O75907 1/20 0.36
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
ROCK1 Q13464 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33

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
SCHEMBL58297 0.88 AAK1 (0.44) F11F2PRSS1PRSS2PRSS3
SCHEMBL59978 0.86 ROCK1 (0.42) F11F2PRSS1PRSS2PRSS3
SCHEMBL58724 0.84 CSF1R (0.39) F11F2PRSS1PRSS2PRSS3
SCHEMBL21626168 0.82 LIPG (0.41) F11F2PRSS1PRSS2PRSS3
SCHEMBL2136697 0.79 LIPG (0.46) F11F2PRSS1PRSS2PRSS3
SCHEMBL4753530 0.77 LIPG (0.40) F11F2PRSS1PRSS2PRSS3
SCHEMBL20660620 0.76 BACE1 (0.47) F11F2PRSS1PRSS2PRSS3
SCHEMBL1554719 0.75 DGAT1 (0.37) F11F2PRSS1PRSS2PRSS3
SCHEMBL15788274 0.75 LPL (0.43) F11LIPGLPLCA1CA2
SCHEMBL2157168 0.74 LIPG (0.37) F11F2PRSS1PRSS2PRSS3

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-8143393-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-27 US disclosed