SCHEMBL8212728

SCHEMBL8212728

N[C@H]1CC[C@H](C(=O)NC2CCOCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
SMYD3 Q9H7B4 6/20 0.48
BTK Q06187 1/20 0.38
EPHX2 P34913 2/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 2/20 0.38
KDM1A O60341 1/20 0.38
ALDH1A1 P00352 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
HSD17B10 Q99714 1/20 0.35
NAMPT P43490 1/20 0.35
MAPK1 P28482 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
SCHEMBL29131058 0.90 POLB (0.57) POLBBTKEPHX2GAALMNA
SCHEMBL21490070 0.86 POLB (0.57) POLBSMYD3EPHX2LMNAALDH1A1
SCHEMBL19701343 0.86 POLB (0.57) POLBSMYD3EPHX2LMNAALDH1A1
SCHEMBL3210529 0.86 POLB (0.57) POLBSMYD3EPHX2LMNAALDH1A1
SCHEMBL3399349 0.86 POLB (0.57) POLBSMYD3EPHX2LMNAALDH1A1
SCHEMBL8235358 0.86 POLB (0.57) POLBSMYD3EPHX2LMNAALDH1A1
SCHEMBL3210521 0.86 POLB (0.57) POLBSMYD3EPHX2LMNAALDH1A1
SCHEMBL12526000 0.85 SMYD3 (0.48) POLBSMYD3BTKEPHX2GAA
SCHEMBL13275171 0.85 SMYD3 (0.48) POLBSMYD3BTKEPHX2GAA
Hydrochloric Acid SCHEMBL987519 0.84 POLB (0.55) POLBSMYD3LMNAALDH1A1L3MBTL1

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
WO-2008028860-A1 BENZOTRIAZOLE KINASE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-13 WO disclosed