SCHEMBL8247244

SCHEMBL8247244

CC(C)C[C@H](C(=O)NCC(=O)CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1cccc(-c2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 13/20 1.00
▸ CTSS P25774 9/20 1.00
▸ CTSL P07711 7/20 0.54
▸ CTSB P07858 4/20 0.47
▸ MMP13 P45452 3/20 0.46
▸ ADAMTS4 O75173 2/20 0.46
▸ MMP1 P03956 2/20 0.46
▸ MMP2 P08253 2/20 0.46
▸ MMP14 P50281 2/20 0.46
▸ MEP1B Q16820 1/20 0.46
▸ ADAMTS5 Q9UNA0 1/20 0.46
▸ BCL2L1 Q07817 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ MMP9 P14780 1/20 0.43
▸ ADAM17 P78536 1/20 0.43
▸ LARS1 Q9P2J5 1/20 0.42

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
SCHEMBL7168737 0.80 CTSK (0.67) CTSKCTSSCTSLMMP13ADAMTS4
SCHEMBL6215843 0.79 CTSK (0.83) CTSKCTSSCTSLCTSB
SCHEMBL4714161 0.79 CTSK (0.83) CTSKCTSSCTSLCTSB
SCHEMBL7163658 0.78 CTSK (0.64) CTSKCTSSCTSLMMP13ADAMTS4
SCHEMBL7160493 0.76 CTSK (0.62) CTSKCTSSCTSLCTSBMMP13
SCHEMBL7248570 0.76 CTSK (0.61) CTSKCTSSMMP13ADAMTS4MMP1
SCHEMBL5934588 0.76 CTSK (0.63) CTSKCTSSCTSLCTSBMMP13
SCHEMBL7165313 0.75 MMP13 (0.60) CTSKCTSSCTSLCTSBMMP13
SCHEMBL7163603 0.75 CTSK (0.60) CTSKCTSSCTSLCTSBMMP13
SCHEMBL7248005 0.74 CTSK (0.59) CTSKCTSSMMP13ADAMTS4MMP1

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-2007041775-A1 CYSTEINE PROTEASE INHIBITORS INCORPORATING AZIDE GROUPS THE UNIVERSITY OF QUEENSLAND (AU) 2007-04-19 — — WO disclosed
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