SCHEMBL8823908

SCHEMBL8823908

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

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.69
CTSL P07711 5/20 0.65
CTSS P25774 4/20 0.65
CTSB P07858 3/20 0.65
CASP1 P29466 1/20 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
SCHEMBL8823900 0.95 CTSK (0.70) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL5848511 0.95 CTSK (0.70) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL5848800 0.95 CTSK (0.70) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL8823946 0.89 CTSK (0.72) CTSKCTSLCTSSCTSBCASP1
SCHEMBL8823995 0.89 CTSK (0.69) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL8837405 0.88 CTSK (0.70) CTSKCTSLCTSSCTSBCASP1
SCHEMBL8837408 0.88 CTSK (0.70) CTSKCTSLCTSSCTSBCASP1
SCHEMBL7318820 0.87 CTSK (0.66) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL7165055 0.87 CTSK (0.66) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL29865964 0.87 CTSK (0.69) CTSKCTSLCTSSCTSBCASP1

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