SCHEMBL6822920

SCHEMBL6822920

CCN(C#N)C(=O)C(Cc1ccccc1)NC(=O)C1(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.47
CTSK P43235 4/20 0.47
CTSL P07711 3/20 0.47
CTSB P07858 3/20 0.47
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42
TACR1 P25103 1/20 0.41
ACACB O00763 1/20 0.41

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
SCHEMBL6822594 0.88 MMP9 (0.48) CTSSCTSKCTSLCTSBMMP9
SCHEMBL6819234 0.86 CTSS (0.49) CTSSCTSKCTSLCTSBMMP9
SCHEMBL6020216 0.83 CTSK (0.60) CTSSCTSKCTSLCTSBMMP9
SCHEMBL6020647 0.82 CTSS (0.58) CTSSCTSKCTSLCTSBTACR1
SCHEMBL6021134 0.81 ATM (0.58) CTSSCTSKCTSLCTSB
SCHEMBL6021192 0.81 CTSL (0.62) CTSSCTSKCTSLCTSB
SCHEMBL6461809 0.81 MMP9 (0.50) CTSSCTSKCTSLMMP9MMP8
SCHEMBL6021087 0.81 CTSL (0.48) CTSSCTSKCTSLCTSBMMP9
SCHEMBL6020580 0.80 CTSL (0.61) CTSSCTSKCTSLCTSBTACR1
SCHEMBL6020479 0.79 ATM (0.62) CTSSCTSKCTSLCTSB

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
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO disclosed