SCHEMBL8823912

SCHEMBL8823912

CCOCC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.65
CTSS P25774 4/20 0.61
CTSL P07711 4/20 0.61
CTSB P07858 2/20 0.61
CASP1 P29466 2/20 0.59
CASP3 P42574 1/20 0.59
CASP7 P55210 1/20 0.59
CASP6 P55212 1/20 0.59
CASP8 Q14790 1/20 0.59
CAPN1 P07384 1/20 0.56
CAPN2 P17655 1/20 0.56

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
SCHEMBL8823943 0.95 CTSK (0.66) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8823951 0.92 CAPN1 (0.63) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8823920 0.90 CTSK (0.61) CTSKCTSSCTSLCTSBCASP1
SCHEMBL8823894 0.88 CTSK (0.69) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8823893 0.88 CTSK (0.59) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8823903 0.88 CTSK (0.59) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8837408 0.87 CTSK (0.70) CTSKCTSSCTSLCTSBCASP1
SCHEMBL8837405 0.87 CTSK (0.70) CTSKCTSSCTSLCTSBCASP1
SCHEMBL27475014 0.87 CTSK (0.64) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7347217 0.87 CTSK (0.64) 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 disclosed