SCHEMBL7377985

SCHEMBL7377985

CC(C)C[C@H](NC(=O)OCCc1ccncc1)C(=O)C1CN(C(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)CC1=O

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.61
CTSL P07711 10/20 0.61
CTSS P25774 6/20 0.61
CTSB P07858 3/20 0.57

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
SCHEMBL7337143 0.96 CTSK (0.66) CTSKCTSLCTSSCTSB
SCHEMBL27472818 0.96 CTSK (0.66) CTSKCTSLCTSSCTSB
SCHEMBL27474580 0.91 CTSK (0.73) CTSKCTSLCTSSCTSB
SCHEMBL7341826 0.91 CTSK (0.73) CTSKCTSLCTSSCTSB
SCHEMBL27472847 0.86 CTSK (0.73) CTSKCTSLCTSSCTSB
SCHEMBL27472846 0.86 CTSK (0.73) CTSKCTSLCTSSCTSB
Hydrochloric Acid SCHEMBL27556172 0.85 CTSK (0.75) CTSKCTSLCTSSCTSB
Hydrochloric Acid SCHEMBL27556174 0.85 CTSK (0.75) CTSKCTSLCTSSCTSB
SCHEMBL6580852 0.82 CTSK (0.90) CTSKCTSLCTSSCTSB
SCHEMBL7341638 0.80 CTSK (0.66) CTSKCTSLCTSSCTSB

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-1997016177-A9 METHOD OF INHIBITING CATHEPSIN K 1997-07-24 WO disclosed