SCHEMBL15436302

SCHEMBL15436302

C[C@@H](c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)N(CC[C@H](CC(C)(C)C#N)c1ccc(F)cc1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
ESR2 Q92731 1/20 0.36
AAK1 Q2M2I8 1/20 0.33
F2 P00734 3/20 0.33
F11 P03951 3/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
CXCR2 P25025 1/20 0.31
CTSL P07711 2/20 0.31
F10 P00742 1/20 0.30

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
SCHEMBL13637092 0.83 LIPG (0.40) LPLLIPGESR2F2F11
SCHEMBL15241491 0.83 HSD11B1 (0.38) SLC6A2SLC6A4CTSL
SCHEMBL16791658 0.83 CTSL (0.34) SLC6A2SLC6A4CTSL
SCHEMBL13953460 0.82 LIPG (0.41) LPLLIPGESR2AAK1F2
SCHEMBL15436345 0.81 LIPG (0.37) LPLLIPGESR2AAK1F2
SCHEMBL13624890 0.75 AAK1 (0.37) LPLLIPGESR2AAK1F2
SCHEMBL17120309 0.75 ALOX5 (0.38) SLC6A2SLC6A4CTSL
SCHEMBL17120320 0.75 ALOX5 (0.38) SLC6A2SLC6A4CTSL
SCHEMBL15092467 0.74 F11 (0.40) LPLLIPGESR2AAK1F2
SCHEMBL15092469 0.74 F11 (0.40) LPLLIPGESR2AAK1F2

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
EP-2687525-A1 Cyclic inhibitors of 11beta-hydroxysteroid dehydrogenase 1 Boehringer Ingelheim International GmbH (DE) 2014-01-22 EP disclosed