SCHEMBL5162091

SCHEMBL5162091

CC(C)(C)NC(=O)O[C@H]1CC[C@H](CN)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.39
PLAT P00750 1/20 0.39
LMNA P02545 1/20 0.39
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
EPHX1 P07099 1/20 0.38
NAAA Q02083 1/20 0.37
DPP4 P27487 2/20 0.36
CCNE1 P24864 11/20 0.34
CDK2 P24941 11/20 0.34
GSK3B P49841 8/20 0.33
CYP2D6 P10635 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
SCHEMBL5162097 1.00 PLG (0.39) PLGPLATLMNATPSAB1TPSD1
SCHEMBL27593036 0.89 NAAA (0.39) EPHX1NAAADPP4CCNE1CDK2
SCHEMBL7815595 0.86 EPHX1 (0.42) LMNAEPHX1DPP4CCNE1CDK2
SCHEMBL27590173 0.85 EPHX1 (0.39) EPHX1NAAADPP4CCNE1CDK2
SCHEMBL27820657 0.85 DPP4 (0.39) EPHX1DPP4CCNE1CDK2GSK3B
SCHEMBL3693380 0.85 EPHX1 (0.39) EPHX1NAAADPP4CCNE1CDK2
Methane SCHEMBL27968861 0.84 EPHX1 (0.41) LMNAEPHX1DPP4CCNE1CDK2
SCHEMBL14738614 0.83 EPHX1 (0.38) EPHX1NAAADPP4CCNE1CDK2
SCHEMBL14738613 0.83 EPHX1 (0.38) EPHX1NAAADPP4CCNE1CDK2
SCHEMBL28310773 0.83 NAAA (0.40) EPHX1NAAADPP4CCNE1CDK2

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-1765791-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-03-28 EP disclosed
WO-2006014482-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-09 WO disclosed