SCHEMBL7087422

SCHEMBL7087422

CC(C)C[C@H](NC(=O)c1ccc(NCC2CCNCC2)cc1)C(=O)N[C@@H]1C(=O)COC[C@H]1C.CC(C)C[C@H](NC(=O)c1ccc(O)c(CN2CCOCC2)c1)C(=O)N[C@@H]1C(=O)COC[C@H]1C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.41
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
F10 P00742 1/20 0.34

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
SCHEMBL7088417 0.92 CTSK (0.40) CTSKCCNA2CDK2CCNA1
SCHEMBL6514175 0.89 CTSK (0.51) CTSK
SCHEMBL6514338 0.87 CTSK (0.52) CTSK
SCHEMBL6513836 0.82 CTSK (0.51) CTSK
SCHEMBL6515438 0.80 CTSK (0.49) CTSK
SCHEMBL6511602 0.80 CTSK (0.52) CTSK
SCHEMBL5744818 0.80 CTSK (0.46) CTSK
SCHEMBL6515235 0.79 CTSK (0.48) CTSK
SCHEMBL6523338 0.79 CTSK (0.52) CTSK
SCHEMBL6511255 0.78 CTSK (0.51) CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358183-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2003-11-05 EP disclosed
WO-2002088106-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2002-11-07 WO disclosed