SCHEMBL4565893

SCHEMBL4565893

CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.48
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
BACE1 P56817 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
USP30 Q70CQ3 2/20 0.39
F2 P00734 2/20 0.39
F11 P03951 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
DGAT1 O75907 1/20 0.38
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA9 Q16790 4/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36

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
SCHEMBL12185974 0.82 BACE1 (0.49) AAK1PRMT5WDR77BACE1BACE2
SCHEMBL484122 0.81 AAK1 (0.45) AAK1PRMT5WDR77BACE1BACE2
SCHEMBL18204544 0.80 BACE1 (0.45) AAK1PRMT5WDR77BACE1BACE2
SCHEMBL1019640 0.79 BACE1 (0.45) AAK1PRMT5WDR77BACE1BACE2
SCHEMBL23753406 0.78 LIPG (0.47) AAK1PRMT5WDR77BACE1BACE2
SCHEMBL2595119 0.78 AAK1 (0.45) AAK1PRMT5WDR77BACE1BACE2
SCHEMBL2592445 0.78 USP30 (0.57) AAK1PRMT5WDR77BACE1BACE2
SCHEMBL28420950 0.77 MIF (0.46)
SCHEMBL1255934 0.77 AAK1 (0.54) AAK1PRMT5WDR77F2F11
SCHEMBL10565579 0.76 AKT1 (0.49) CA1CA12CA7CA14

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-2124563-A1 BENZIMIDAZOLE TRPV1 INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2009-12-02 EP disclosed
WO-2008076752-A1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-26 WO disclosed