SCHEMBL6592500

SCHEMBL6592500

C[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC(C)(C)c1ccccc1)NC(=O)ON1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.37
CTSS P25774 10/20 0.37
CTSL P07711 6/20 0.37
CTSB P07858 3/20 0.37
TACR3 P29371 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL6587905 0.91 CTSK (0.47) CTSKCTSSCTSLCTSB
SCHEMBL6593578 0.88 CTSK (0.40) CTSKCTSSCTSLCTSB
SCHEMBL6592618 0.88 CTSS (0.43) CTSKCTSSCTSLCTSBCNR2
SCHEMBL6590048 0.87 CTSS (0.39) CTSKCTSSCTSLCTSBTACR3
SCHEMBL6476113 0.87 CTSS (0.47) CTSKCTSSCTSLCTSBSMN1; SMN2
SCHEMBL6590456 0.87 CTSS (0.40) CTSKCTSSCTSLCTSB
SCHEMBL6590003 0.86 CTSK (0.39) CTSKCTSSCTSLCTSB
SCHEMBL6588287 0.85 CTSK (0.36) CTSKCTSSCTSLCTSB
SCHEMBL6589060 0.85 CTSK (0.38) CTSKCTSSCTSLCTSB
SCHEMBL6592634 0.81 CTSK (0.37) CTSKCTSSCTSLCTSB

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
EP-1178986-B1 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S MEDIVIR UK LTD (GB) 2004-02-25 EP claimed