SCHEMBL8823957

SCHEMBL8823957

COCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.55
CTSS P25774 1/20 0.42
CAPN1 P07384 5/20 0.42
CTSL P07711 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38

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
SCHEMBL8823956 0.99 CTSK (0.53) CTSKCTSSCAPN1CTSLSMN1; SMN2
SCHEMBL7340018 0.81 CTSK (0.56) CTSKCTSSSMN1; SMN2
SCHEMBL7340009 0.81 CTSK (0.56) CTSKCTSSSMN1; SMN2
SCHEMBL4144410 0.80 CTSK (0.55) CTSKCTSSSMN1; SMN2
SCHEMBL4136042 0.78 CTSK (0.54) CTSKCTSSSMN1; SMN2
SCHEMBL8807983 0.74 CTSK (0.56) CTSKCAPN1
SCHEMBL8807975 0.74 CTSK (0.56) CTSKCAPN1
SCHEMBL11977974 0.74 CTSK (0.47) CTSKCTSL
SCHEMBL7344682 0.74 CTSK (0.48) CTSKCTSSCTSLPSEN1PSEN2
SCHEMBL7344674 0.74 CTSK (0.48) CTSKCTSSCTSLPSEN1PSEN2

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-1997049668-A1 INHIBITIORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 WO claimed