SCHEMBL1363050

SCHEMBL1363050

CC(C)(C)C[C@H]1CN(Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CCN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.39
LPL P06858 1/20 0.39
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTT P42858 1/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA4 P22748 4/20 0.34
CA9 Q16790 4/20 0.34
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
AGTR2 P50052 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL25425656 0.87 LIPG (0.40) LIPGLPLALDH1A1MEN1KMT2A
SCHEMBL3399375 0.85 LIPG (0.42) LIPGLPLMEN1KMT2AOPRM1
SCHEMBL3399142 0.85 LIPG (0.42) LIPGLPLMEN1KMT2AOPRM1
SCHEMBL1363047 0.79 USP30 (0.40) LIPGLPL
SCHEMBL8020161 0.79 USP30 (0.40) LIPGLPL
SCHEMBL3045151 0.78 LIPG (0.47) LIPGLPLALDH1A1MEN1KMT2A
SCHEMBL1363051 0.76 LIPG (0.41) LIPGLPLALDH1A1MEN1KMT2A
SCHEMBL4281413 0.75 DPP4 (0.45) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL12062822 0.74 LIPG (0.38) LIPGLPLOPRM1OPRK1
SCHEMBL3041956 0.73 GLS (0.47) LIPGLPLALDH1A1HTT

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-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 US disclosed