SCHEMBL18319652

SCHEMBL18319652

CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 7/20 0.39
ROCK1 Q13464 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
LPL P06858 6/20 0.38
P4HB P07237 1/20 0.37
F11 P03951 3/20 0.36
F2 P00734 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
HIF1A Q16665 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL19743463 0.88 HIF1A (0.43) LIPGROCK1LPLP4HBF11
SCHEMBL18497287 0.84 AAK1 (0.40) LIPGROCK1AAK1LPLP4HB
SCHEMBL20296811 0.83 AAK1 (0.47) LIPGROCK1AAK1HIF1AMEN1
SCHEMBL17418789 0.83 ROCK1 (0.53) LIPGROCK1LPLP4HBF11
SCHEMBL1684669 0.80 LIPG (0.53) LIPGLPLP4HBF11F2
SCHEMBL20528016 0.79 HIF1A (0.40) LIPGROCK1AAK1LPLP4HB
SCHEMBL30159287 0.79 LIPG (0.42) LIPGROCK1AAK1LPLF11
SCHEMBL16831556 0.79 LIPG (0.42) LIPGROCK1AAK1LPLF11
SCHEMBL4604189 0.77 LIPG (0.52) LIPGLPLP4HBMEN1KMT2A
SCHEMBL21179837 0.76 AAK1 (0.40) LIPGROCK1AAK1LPLF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3307719-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-04-18 EP disclosed
WO-2016203400-A1 NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-12-22 WO disclosed