SCHEMBL7048610

SCHEMBL7048610

CCCCOC(=O)NCC(C)(C)[C]=O

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.50
EPHX1 P07099 1/20 0.43
ALDH1A1 P00352 1/20 0.41
ATM Q13315 1/20 0.39

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
SCHEMBL8909168 0.79 ACHE (0.53) ACHEEPHX1ALDH1A1
SCHEMBL3956624 0.79 ACHE (0.53) ACHEEPHX1ALDH1A1ATM
SCHEMBL3627549 0.77 ACHE (0.58) ACHEEPHX1ALDH1A1ATM
SCHEMBL28231754 0.77 ACHE (0.50) ACHEEPHX1ALDH1A1
SCHEMBL856208 0.77 ACHE (0.50) ACHEEPHX1ALDH1A1
SCHEMBL6970951 0.76 EPHX1 (0.36) EPHX1
SCHEMBL8800666 0.75 ACHE (0.51) ACHEEPHX1ALDH1A1ATM
SCHEMBL1534985 0.75 ACHE (0.53) ACHEEPHX1ALDH1A1
SCHEMBL4764643 0.74 ACHE (0.51) ACHEEPHX1
SCHEMBL28230804 0.74 ACHE (0.47) ACHEEPHX1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003018019-A2 NEW USE OF CYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 WO disclosed
EP-1259499-A1 THIAZEPINYL HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-27 EP disclosed
WO-2001060808-A1 THIAZEPINYL HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed