SCHEMBL697268

SCHEMBL697268

CC(C)(C)OC(=O)N1C[C@H](Sc2ccccc2OC(F)(F)F)C[C@H]1C(=O)N(C#N)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.47
UCHL1 P09936 1/20 0.35
USP30 Q70CQ3 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
GPR119 Q8TDV5 3/20 0.34
AR P10275 3/20 0.32
LIPE Q05469 1/20 0.32
TACR1 P25103 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ABHD6 Q9BV23 1/20 0.31
DAGLA Q9Y4D2 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31

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
SCHEMBL696555 0.84 UCHL1 (0.36) CTSSUCHL1USP30GPR119AR
SCHEMBL695044 0.83 CTSS (0.38) CTSSUCHL1USP30GPR119AR
SCHEMBL693997 0.82 CTSS (0.48) CTSSUCHL1
SCHEMBL15202446 0.81 CTSS (0.46) CTSSUCHL1USP30GPR119AR
SCHEMBL15200604 0.81 CTSS (0.73) CTSSMEN1KMT2A
SCHEMBL15200629 0.80 CTSS (0.47) CTSSUCHL1USP30GPR119AR
SCHEMBL695135 0.80 UCHL1 (0.36) CTSSUCHL1USP30GPR119AR
SCHEMBL15194359 0.79 CTSS (0.66) CTSS
SCHEMBL2107599 0.79 CTSS (0.66) CTSS
SCHEMBL15202564 0.79 CTSS (0.42) CTSSUCHL1USP30GPR119AR

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-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed