SCHEMBL13784222

SCHEMBL13784222

CC(C)C[C@H](NC(=O)CCCCC1CCCCC1)C(=O)N[C@H]1CC[C@@H](C)N(S(=O)(=O)c2cccc[n+]2[O-])CC1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.47
CTSL P07711 17/20 0.47
CTSS P25774 16/20 0.47
CTSV O60911 1/20 0.47
CTSB P07858 1/20 0.47
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 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
SCHEMBL13784221 0.98 CTSK (0.48) CTSKCTSLCTSSCTSVCTSB
SCHEMBL13784220 0.95 CTSK (0.49) CTSKCTSLCTSSCTSVCTSB
SCHEMBL13784219 0.91 CTSK (0.50) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6841642 0.86 CTSK (0.51) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6212984 0.80 CTSK (0.73) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6214770 0.79 CTSK (0.59) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6842285 0.78 CTSK (0.51) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6214856 0.78 CTSK (0.54) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6842085 0.77 CTSK (0.63) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6211985 0.77 CTSK (0.64) CTSKCTSLCTSSCTSVCTSB

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
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed