SCHEMBL8823945

SCHEMBL8823945

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)COc1ccc2c(c1)OCO2

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 15/20 0.53
▸ CTSS P25774 7/20 0.51
▸ CTSL P07711 4/20 0.51
▸ CTSB P07858 1/20 0.51
▸ CAPN1 P07384 1/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ CASP3 P42574 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ CASP6 P55212 1/20 0.50
▸ CASP8 Q14790 1/20 0.50

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
SCHEMBL8824069 0.85 CTSK (0.66) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8823930 0.85 CTSK (0.66) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8823904 0.83 CTSK (0.65) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8823894 0.79 CTSK (0.69) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8823892 0.79 CTSK (0.69) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8823928 0.78 CTSK (0.73) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8823980 0.78 CTSK (0.73) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8823943 0.77 CTSK (0.66) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8824084 0.76 CTSK (0.61) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL21485271 0.76 CTSK (0.70) CTSKCTSSCTSLCTSBCAPN1

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
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