SCHEMBL7526718

SCHEMBL7526718

CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(COC)o1

nearest known ligand 0.88

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 13/20 0.88
CTSB P07858 13/20 0.88
CTSS P25774 13/20 0.88
CTSK P43235 11/20 0.88
MME P08473 3/20 0.38
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
SLC6A9 P48067 1/20 0.36
TACR2 P21452 2/20 0.36
NPPA P01160 2/20 0.36

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
SCHEMBL7533075 0.88 CTSL (1.00) CTSLCTSBCTSSCTSKSLC6A9
SCHEMBL7537053 0.86 CTSS (1.00) CTSLCTSBCTSSCTSKMME
SCHEMBL7569060 0.86 CTSS (1.00) CTSLCTSBCTSSCTSKMME
SCHEMBL7529726 0.84 CTSS (1.00) CTSLCTSBCTSSCTSKMME
SCHEMBL7531501 0.83 CTSS (1.00) CTSLCTSBCTSSCTSKMME
SCHEMBL7534190 0.83 CTSK (0.91) CTSLCTSBCTSSCTSKMME
SCHEMBL7528445 0.82 CTSS (0.74) CTSLCTSBCTSSCTSKMME
SCHEMBL7534180 0.77 CTSS (0.52) CTSLCTSBCTSSCTSKMME
SCHEMBL7530898 0.76 CTSS (0.65) CTSLCTSBCTSSCTSK
SCHEMBL7530008 0.74 CTSK (0.63) CTSLCTSBCTSSCTSKMME

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
WO-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 WO claimed
WO-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 WO disclosed