SCHEMBL7451209

SCHEMBL7451209

CC(C)C[CH]C(=O)N[C@H]1CCCCOCC1=O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.38
CTSL P07711 2/20 0.38
CTSS P25774 2/20 0.38
CCR2 P41597 1/20 0.32
CPB2 Q96IY4 1/20 0.30

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
SCHEMBL7449341 0.88 CTSK (0.34) CTSKCTSLCTSSCPB2
SCHEMBL7451263 0.84 CTSK (0.35) CTSKCTSLCTSS
SCHEMBL7442268 0.76 CTSK (0.46) CTSKCTSLCTSS
SCHEMBL7455803 0.72 CTSK (0.37) CTSKCTSLCTSSCCR2CPB2
SCHEMBL7523273 0.72 CTSK (0.47) CTSKCTSLCTSS
SCHEMBL5099617 0.72 CTSK (0.42) CTSKCTSLCTSS
SCHEMBL5105797 0.72 CTSK (0.38) CTSKCTSLCTSSCCR2
SCHEMBL7427606 0.71 ALDH1A1 (0.41) CTSKCTSLCTSS
SCHEMBL5099529 0.71 CTSK (0.37) CTSKCTSLCTSS
SCHEMBL7451271 0.68 CTSK (0.38) CTSKCTSLCTSSCCR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1153022-A4 PROTHEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP disclosed
EP-1153022-A1 PROTHEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-14 EP disclosed
WO-2000049011-A1 PROTHEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-08-24 WO disclosed