SCHEMBL4786346

SCHEMBL4786346

CC(C)C[C@@H](N[C@@H](c1ccc(Br)cc1)C(F)(F)F)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 16/20 0.72
CTSK P43235 15/20 0.72
CTSS P25774 14/20 0.72
CTSB P07858 10/20 0.72
GRN P28799 1/20 0.64
SORT1 Q99523 1/20 0.64
FPR2 P25090 1/20 0.52

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
SCHEMBL4085485 1.00 CTSL (0.72) CTSLCTSKCTSSCTSBGRN
SCHEMBL1169219 1.00 CTSL (0.72) CTSLCTSKCTSSCTSBGRN
SCHEMBL1169217 1.00 CTSL (0.72) CTSLCTSKCTSSCTSBGRN
SCHEMBL4085479 1.00 CTSL (0.72) CTSLCTSKCTSSCTSBGRN
SCHEMBL2156284 0.90 CTSL (0.60) CTSLCTSKCTSSCTSBGRN
SCHEMBL3769248 0.87 CTSL (0.56) CTSLCTSKCTSSCTSBGRN
SCHEMBL13624191 0.87 CTSL (0.71) CTSLCTSKCTSSCTSBGRN
SCHEMBL14579994 0.87 CTSL (0.70) CTSLCTSKCTSSCTSBGRN
SCHEMBL2154979 0.87 CTSL (0.70) CTSLCTSKCTSSCTSBGRN
SCHEMBL13624187 0.87 CTSL (0.70) CTSLCTSKCTSSCTSBGRN

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-1899336-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2008-03-19 EP disclosed
WO-2007006716-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-01-18 WO disclosed